Research chemical
3-{[6-(Ethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid hydrochloride
CAS Number: 1093851-14-9
![3-{[6-(Ethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid hydrochloride molecular structure, CAS 1093851-14-9](/structure-images/1093851-14-9.png?v=struct-v3)
Product details
Identity & specification
- Molecular formula
- C17H16ClN3O4S
- Molecular weight
- 393.8 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
18590641
Exact Mass
393.055005
InChIKey
VODBHWNQSALCNS-UHFFFAOYSA-N
IUPAC Name
3-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid;hydrochloride
SMILES String
CCOC(=O)c1sc2ncnc(Nc3cccc(C(=O)O)c3)c2c1C.Cl
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
26
H-bond acceptors
7
H-bond donors
2
Rotatable bonds
5
Ring count
3
Aromatic rings
3
Topological polar surface area
101.41 Ų
Computed LogP
4.04
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
3-{[6-(Ethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid hydrochloride (CAS 1093851-14-9) is maintained as a cataloged research chemical with formula C17H16ClN3O4S, molecular weight 393. 80 g/mol, PubChem CID 18590641.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
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.
Procurement questions
What are the key identifiers for 3-{[6-(Ethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid hydrochloride (CAS 1093851-14-9)?
3-{[6-(Ethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid hydrochloride is identified by CAS 1093851-14-9, with molecular formula C17H16ClN3O4S, molecular weight 393.8, InChIKey VODBHWNQSALCNS-UHFFFAOYSA-N.
Can I request a COA for CAS 1093851-14-9?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 3-{[6-(Ethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid hydrochloride?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1093851-14-9 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.