ChemDiv1_021043
TL;DR: ChemDiv1_021043 (CAS 329068-38-4) is a chemical compound with molecular formula C24H23ClN2O2S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorobenzoyl)amino]-N-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: ChemDiv1_021043, BAS 00486798, 2-[(2-chlorobenzoyl)amino]-N-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, {2-[(2-chlorophenyl)carbonylamino](4,5,6,7,8-pentahydrocyclohepta[1,2-b]thioph en-3-yl)}-N-(4-methylphenyl)carboxamide, 2-(2-CHLOROBENZAMIDO)-N-(4-METHYLPHENYL)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C24H23ClN2O2S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 6.48342 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.11688 |
| Heavy Atoms | 30 |
| Complexity | 1089.0854 |
Chemical Identifiers
| CAS Number | 329068-38-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
ChemDiv1_021043 (CAS 329068-38-4), with molecular formula C24H23ClN2O2S and molecular weight 438.12 g/mol. IUPAC: 2-[(2-chlorobenzoyl)amino]-N-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of ChemDiv1_021043
Property Insights of ChemDiv1_021043
The XLogP value of 6.48342 indicates that ChemDiv1_021043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, ChemDiv1_021043 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021043 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021043?
The CAS number of ChemDiv1_021043 is 329068-38-4.
What is the molecular formula of ChemDiv1_021043?
The molecular formula of ChemDiv1_021043 is C24H23ClN2O2S.
What is the molecular weight of ChemDiv1_021043?
The molecular weight of ChemDiv1_021043 is 438.12 g/mol.
Where can I buy ChemDiv1_021043?
You can request a quote for ChemDiv1_021043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021043?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.