ChemDiv1_021904
TL;DR: ChemDiv1_021904 (CAS 312949-88-5) is a chemical compound with molecular formula C25H25ClN2O2S and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: ChemDiv1_021904, BIM-0044023.P001, 2-[(2-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-(2-CHLOROBENZAMIDO)-N-(2,4-DIMETHYLPHENYL)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXAMIDE, N-(2,4-dimethylphenyl){2-[(2-chlorophenyl)carbonylamino](4,5,6,7,8-pentahydroc yclohepta[1,2-b]thiophen-3-yl)}carboxamide
| Molecular Formula | C25H25ClN2O2S |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 6.79184 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.13254 |
| Heavy Atoms | 31 |
| Complexity | 1152.419 |
Chemical Identifiers
| CAS Number | 312949-88-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4=CC=CC=C4Cl)C |
Product Overview
ChemDiv1_021904 (CAS 312949-88-5), with molecular formula C25H25ClN2O2S and molecular weight 452.13 g/mol. IUPAC: 2-[(2-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of ChemDiv1_021904
Property Insights of ChemDiv1_021904
The XLogP value of 6.79184 indicates that ChemDiv1_021904 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_021904 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021904 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_021904?
The CAS number of ChemDiv1_021904 is 312949-88-5.
What is the molecular formula of ChemDiv1_021904?
The molecular formula of ChemDiv1_021904 is C25H25ClN2O2S.
What is the molecular weight of ChemDiv1_021904?
The molecular weight of ChemDiv1_021904 is 452.13 g/mol.
Where can I buy ChemDiv1_021904?
You can request a quote for ChemDiv1_021904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021904?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.