N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide (CAS 307342-21-8) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 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)-3-methoxybenzamide
Also Known As: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide, BAS 01262710, F0016-0389, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-methoxybenzamide, N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-3-methoxy-benzamide
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 307342-21-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
| InChIKey | IXDXYOPKQJZLFL-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-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide (CAS 307342-21-8), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
The XLogP value of 4.2 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide has 1 hydrogen bond donor(s) and 4 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-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is 307342-21-8.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is C17H16N2O2S.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is 312.09 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide 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-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.