N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide
TL;DR: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide (CAS 588693-56-5) is a chemical compound with molecular formula C23H27ClN2O2S and molecular weight 430.15 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-(2-chloro-5-methylphenoxy)propanamide
Also Known As: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide, 2-(2-CHLORO-5-METHYLPHENOXY)-N-[3-CYANO-6-(2-METHYL-2-PROPANYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]PROPANAMIDE, N-[6-(tert-butyl)-3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)]-2-(2-chlor o-5-methylphenoxy)propanamide
| Molecular Formula | C23H27ClN2O2S |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 6.1386 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.14816 |
| Heavy Atoms | 29 |
| Complexity | 968.47815 |
Chemical Identifiers
| CAS Number | 588693-56-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)OC(C)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N |
Product Overview
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide (CAS 588693-56-5), with molecular formula C23H27ClN2O2S and molecular weight 430.15 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide.
Chemical Property Profile of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide
Property Insights of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide
The XLogP value of 6.1386 indicates that N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide 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-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide. Following Lipinski's Rule of Five, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide 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-(2-chloro-5-methylphenoxy)propanamide?
The CAS number of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide is 588693-56-5.
What is the molecular formula of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide?
The molecular formula of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide is C23H27ClN2O2S.
What is the molecular weight of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide?
The molecular weight of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide is 430.15 g/mol.
Where can I buy N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide?
You can request a quote for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide 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-(2-chloro-5-methylphenoxy)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.