N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide
TL;DR: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide (CAS 313404-16-9) is a chemical compound with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide
Also Known As: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide, F0147-0306, N-(3-cyano-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-ethoxybenzamide
| Molecular Formula | C19H20N2O2S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 4.39558 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.12454 |
| Heavy Atoms | 24 |
| Complexity | 786.9335 |
Chemical Identifiers
| CAS Number | 313404-16-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC(C3)C)C#N |
Product Overview
N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide (CAS 313404-16-9), with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol. IUPAC: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide.
Chemical Property Profile of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide
Property Insights of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide
The XLogP value of 4.39558 indicates that N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide. Following Lipinski's Rule of Five, N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide 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-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide?
The CAS number of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide is 313404-16-9.
What is the molecular formula of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide?
The molecular formula of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide is C19H20N2O2S.
What is the molecular weight of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide?
The molecular weight of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide is 340.12 g/mol.
Where can I buy N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide?
You can request a quote for N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide 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-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.