N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide
TL;DR: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide (CAS 515150-15-9) is a chemical compound with molecular formula C21H23ClN2OS2 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide
Also Known As: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-chloro-5-(methylsulfanyl)benzamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-(methylsulfanyl)benzamide, 2-CHLORO-N-[3-CYANO-6-(2-METHYL-2-PROPANYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-5-(METHYLSULFANYL)BENZAMIDE, N-[6-(tert-butyl)-3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)](2-chloro-5 -methylthiophenyl)carboxamide
| Molecular Formula | C21H23ClN2OS2 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 6.39838 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.09402 |
| Heavy Atoms | 27 |
| Complexity | 921.4835 |
Chemical Identifiers
| CAS Number | 515150-15-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=CC(=C3)SC)Cl |
Product Overview
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide (CAS 515150-15-9), with molecular formula C21H23ClN2OS2 and molecular weight 418.09 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide.
Chemical Property Profile of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide
Property Insights of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide
The XLogP value of 6.39838 indicates that N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide 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-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide?
The CAS number of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide is 515150-15-9.
What is the molecular formula of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide?
The molecular formula of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide is C21H23ClN2OS2.
What is the molecular weight of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide?
The molecular weight of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide is 418.09 g/mol.
Where can I buy N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide?
You can request a quote for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-methylsulfanylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.