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Research chemical

Benzoic acid, 4-azido-2,3,5,6-tetrafluoro-, 2,2-bis[[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxy]methyl]-1,3-propanediyl ester

CAS Number: 157928-53-5

Chemical structure
Benzoic acid, 4-azido-2,3,5,6-tetrafluoro-, 2,2-bis[[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxy]methyl]-1,3-propanediyl ester molecular structure, CAS 157928-53-5

Product details

Identity & specification

Molecular formula
C33H8F16N12O8
Molecular weight
1004.5 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

139410657

Exact Mass

1004.033256

InChIKey

ONXAVHQWLDYKMA-UHFFFAOYSA-N

IUPAC Name

[3-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxy-2,2-bis[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethyl]propyl] 4-azido-2,3,5,6-tetrafluorobenzoate

SMILES String

[N-]=[N+]=Nc1c(F)c(F)c(C(=O)OCC(COC(=O)c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)(COC(=O)c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)COC(=O)c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)c(F)c1F

Physical Properties

No physical property values available.

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

69

H-bond acceptors

20

H-bond donors

0

Rotatable bonds

16

Ring count

4

Aromatic rings

4

Topological polar surface area

300.24 Ų

Computed LogP

11.39

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

No

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

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

Benzoic acid, 4-azido-2,3,5,6-tetrafluoro-, 2,2-bis[[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxy]methyl]-1,3-propanediyl ester (CAS 157928-53-5) is maintained as a commercial cas reference with formula C33H8F16N12O8, molecular weight 1004.

Sourcing context

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

Research use context

Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

Review supplier documentation before handling; for research use only.

Applications & Classification

Commercial Research ChemicalsHeterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom 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.

Catalog navigation

Related Catalog Entries

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

Structure similarityFmoc-l-thyroxineView related compound →Structure similarity5'-O-[Bis(4-Methoxyphenyl)Phenylmethyl]-2'-Deoxy-5-[3-Oxo-3-[[2-[(Trifluoroacetyl)Amino]Ethyl]Amino]-1-Propenyl]-Uridine 3'-[2-Cyanoethyl Bis(1-Methylethyl)Phosphoramidite]View related compound →Structure similarity4,9-Dibromo-6,7-bis(4-((2-octyldodecyl)oxy)phenyl)-[1,2,5]thiadiazolo[3,4-g]quinoxalineView related compound →Structure similarity3-(4-carboxybenzyl)-2-((Z)-2-((E)-3-((Z)-2-(3-(4-carboxybenzyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromideView related compound →Structure similarityBenzenediazonium, 2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)-, (T-4)-tetrachlorozincate(2-) (2:1)View related compound →

Procurement questions

What are the key identifiers for Benzoic acid, 4-azido-2,3,5,6-tetrafluoro-, 2,2-bis[[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxy]methyl]-1,3-propanediyl ester (CAS 157928-53-5)?

Benzoic acid, 4-azido-2,3,5,6-tetrafluoro-, 2,2-bis[[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxy]methyl]-1,3-propanediyl ester is identified by CAS 157928-53-5, with molecular formula C33H8F16N12O8, molecular weight 1004.5, InChIKey ONXAVHQWLDYKMA-UHFFFAOYSA-N.

Can I request a COA for CAS 157928-53-5?

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

Can I request supplier SDS for Benzoic acid, 4-azido-2,3,5,6-tetrafluoro-, 2,2-bis[[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxy]methyl]-1,3-propanediyl ester?

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

Is CAS 157928-53-5 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.