ChemDiv1_020490
TL;DR: ChemDiv1_020490 (CAS 301322-04-3) is a chemical compound with molecular formula C23H21ClN2O2S and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorobenzoyl)amino]-N-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: ChemDiv1_020490, BAS 00486730, 2-[(2-chlorobenzoyl)amino]-N-phenyl-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-benzamide, 2-{[(2-chlorophenyl)carbonyl]amino}-N-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C23H21ClN2O2S |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 6.175 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.10123 |
| Heavy Atoms | 29 |
| Complexity | 1046.2864 |
Chemical Identifiers
| CAS Number | 301322-04-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
ChemDiv1_020490 (CAS 301322-04-3), with molecular formula C23H21ClN2O2S and molecular weight 424.10 g/mol. IUPAC: 2-[(2-chlorobenzoyl)amino]-N-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of ChemDiv1_020490
Property Insights of ChemDiv1_020490
The XLogP value of 6.175 indicates that ChemDiv1_020490 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_020490 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_020490 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_020490?
The CAS number of ChemDiv1_020490 is 301322-04-3.
What is the molecular formula of ChemDiv1_020490?
The molecular formula of ChemDiv1_020490 is C23H21ClN2O2S.
What is the molecular weight of ChemDiv1_020490?
The molecular weight of ChemDiv1_020490 is 424.10 g/mol.
Where can I buy ChemDiv1_020490?
You can request a quote for ChemDiv1_020490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020490?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.