![N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide structure](/static/products/2977/297763-76-9.webp)
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide
TL;DR: N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide (CAS 297763-76-9) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide
Also Known As: N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide, BAS 00483163, N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-4-nitro-benzamide, Benzamide, 4-nitro-N-(4,5,6,7-tetrahydro-3-cyanobenzothien-2-yl)-
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 297763-76-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N |
| InChIKey | DBPXHLRHLJGVLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide (CAS 297763-76-9), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide
Property Insights of N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide
The XLogP value of 4.1 indicates that N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide?
The CAS number of N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide is 297763-76-9.
What is the molecular formula of N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide?
The molecular formula of N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide is C16H13N3O3S.
What is the molecular weight of N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide?
The molecular weight of N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide is 327.07 g/mol.
Where can I buy N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide?
You can request a quote for N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.