![N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide structure](/static/products/4772/477242-88-9.webp)
N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide
TL;DR: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide (CAS 477242-88-9) is a chemical compound with molecular formula C19H20N2OS2 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylsulfanylpropanamide
Also Known As: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide, F0700-0058, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(phenylsulfanyl)propanamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylsulfanylpropanamide
| Molecular Formula | C19H20N2OS2 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 4.86548 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1017 |
| Heavy Atoms | 24 |
| Complexity | 761.66425 |
Chemical Identifiers
| CAS Number | 477242-88-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=CC=C3 |
Product Overview
N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide (CAS 477242-88-9), with molecular formula C19H20N2OS2 and molecular weight 356.10 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylsulfanylpropanamide.
Chemical Property Profile of N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide
Property Insights of N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide
The XLogP value of 4.86548 indicates that N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide 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-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide 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-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide?
The CAS number of N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide is 477242-88-9.
What is the molecular formula of N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide?
The molecular formula of N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide is C19H20N2OS2.
What is the molecular weight of N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide?
The molecular weight of N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide is 356.10 g/mol.
Where can I buy N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide?
You can request a quote for N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide 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-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.