Research chemical

C20H16BrN3O5S

CAS Number: 1005102-05-5

Product details

Identity & specification

Molecular formula: C20H16BrN3O5S
Molecular weight: 490.3 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

16414791

Exact Mass

488.9994

InChIKey

KSVQAJLAFJINBI-UHFFFAOYSA-N

IUPAC Name

methyl 2-(5'-bromo-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl)-5-methylthiophene-3-carboxylate

SMILES String

COC(=O)c1cc(C)sc1N1C(=O)C2CNC3(C(=O)Nc4ccc(Br)cc43)C2C1=O

Physical Properties

No physical property values available.

Show more physical data

XLogP

1.6

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

104.81 Å²

Computed LogP

2.16

Fragment-like structure rule

Lead-like structure rule

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

Boronic acid motif

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

C20H16BrN3O5S (CAS 1005102-05-5) is an English MolGraph catalog reference, molecular formula C20H16BrN3O5S and molecular weight 490. 30 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.

Documentation needs

Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.

Applications & Classification

Heterocyclic Building Blocks Research Chemical SourcingResearch intermediateCustom synthesis building blockCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Synonyms & references

Names & Synonyms

methyl 2-(5-bromo-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)-5-methylthiophene-3-carboxylatemethyl 2-{5-bromo-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-5'-yl}-5-methylthiophene-3-carboxylatemethyl 2-(13-bromo-1,3,10-trioxospiro[2,4,5,6,3a,6a-hexahydro-2,5-diazapentale ne-4,3'-indoline]-2-yl)-5-methylthiophene-3-carboxylatemethyl 2-(5'-bromo-2',6,8-trioxospiro[3,7-diazabicyclo[3.3.0]octane-2,3'-indolin]-7-yl)-5-methyl-3-thenoatemethyl 2-(5-bromo-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl)-5-methylthiophene-3-carboxylate

External Identifiers

PUBCHEM CID: 16414791

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Procurement questions

What are the key identifiers for C20H16BrN3O5S (CAS 1005102-05-5)?

C20H16BrN3O5S is identified by CAS 1005102-05-5, with molecular formula C20H16BrN3O5S, molecular weight 490.3, InChIKey KSVQAJLAFJINBI-UHFFFAOYSA-N.

Can I request a COA for CAS 1005102-05-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for C20H16BrN3O5S?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 1005102-05-5 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.