ChemDiv1_005299
TL;DR: ChemDiv1_005299 (CAS 332380-92-4) is a chemical compound with molecular formula C23H23ClN2OS2 and molecular weight 442.09 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)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv1_005299, BAS 01516801, N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-chloro-6-methylbenzo[b]thiophene-2-carboxamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide, 3-Chloro-6-methyl-benzo[b]thiophene-2-carboxylic acid (6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide
| Molecular Formula | C23H23ClN2OS2 |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 7.1996 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.09402 |
| Heavy Atoms | 29 |
| Complexity | 1160.4406 |
Chemical Identifiers
| CAS Number | 332380-92-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N)Cl |
Product Overview
ChemDiv1_005299 (CAS 332380-92-4), with molecular formula C23H23ClN2OS2 and molecular weight 442.09 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_005299
Property Insights of ChemDiv1_005299
The XLogP value of 7.1996 indicates that ChemDiv1_005299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, ChemDiv1_005299 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005299 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 ChemDiv1_005299?
The CAS number of ChemDiv1_005299 is 332380-92-4.
What is the molecular formula of ChemDiv1_005299?
The molecular formula of ChemDiv1_005299 is C23H23ClN2OS2.
What is the molecular weight of ChemDiv1_005299?
The molecular weight of ChemDiv1_005299 is 442.09 g/mol.
Where can I buy ChemDiv1_005299?
You can request a quote for ChemDiv1_005299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005299?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.