N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide
TL;DR: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide (CAS 476284-01-2) is a chemical compound with molecular formula C19H20N2OS and molecular weight 324.13 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)-3,4-dimethylbenzamide
Also Known As: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide, N-(3-cyano-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,4-dimethylbenzamide, F0328-0544
| Molecular Formula | C19H20N2OS |
|---|---|
| Molecular Weight | 324.13 g/mol |
| LogP | 4.61372 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.12964 |
| Heavy Atoms | 23 |
| Complexity | 813.50757 |
Chemical Identifiers
| CAS Number | 476284-01-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)C)C)C#N |
Product Overview
N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide (CAS 476284-01-2), with molecular formula C19H20N2OS and molecular weight 324.13 g/mol. IUPAC: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide.
Chemical Property Profile of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide
Property Insights of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide
The XLogP value of 4.61372 indicates that N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide 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-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide 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-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide?
The CAS number of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide is 476284-01-2.
What is the molecular formula of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide?
The molecular formula of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide is C19H20N2OS.
What is the molecular weight of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide?
The molecular weight of N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide is 324.13 g/mol.
Where can I buy N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide?
You can request a quote for N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide 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)-3,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.