N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide (CAS 60557-04-2) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 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-methylbenzamide
Also Known As: BAS 00888594, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide, AH-034/08820019, F0016-0388, N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-4-methyl-benzamide
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 4.0593 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 722.48376 |
Chemical Identifiers
| CAS Number | 60557-04-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide (CAS 60557-04-2), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide
The XLogP value of 4.0593 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide has 1 hydrogen bond donor(s) and 3 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)-4-methylbenzamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide is 60557-04-2.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide is C17H16N2OS.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide is 296.10 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide 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)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.