N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
TL;DR: N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide (CAS 444926-88-9) is a chemical compound with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
Also Known As: N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide, N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-methoxybenzamide, N-(3-cyano-6-propyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))(3-methoxyphenyl) carboxamide
| Molecular Formula | C20H22N2O2S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 4.78568 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.1402 |
| Heavy Atoms | 25 |
| Complexity | 819.58905 |
Chemical Identifiers
| CAS Number | 444926-88-9 |
|---|---|
| SMILES | CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)OC |
Product Overview
N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide (CAS 444926-88-9), with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol. IUPAC: N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide.
Chemical Property Profile of N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
Property Insights of N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
The XLogP value of 4.78568 indicates that N-(3-cyano-6-propyl-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 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide. Following Lipinski's Rule of Five, N-(3-cyano-6-propyl-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-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
The CAS number of N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is 444926-88-9.
What is the molecular formula of N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
The molecular formula of N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is C20H22N2O2S.
What is the molecular weight of N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
The molecular weight of N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is 354.14 g/mol.
Where can I buy N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
You can request a quote for N-(3-cyano-6-propyl-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-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-6-propyl-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.