8J-312S
TL;DR: 8J-312S (CAS 339100-25-3) is a chemical compound with molecular formula C23H20ClN3O3S and molecular weight 453.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4-chlorophenyl)sulfonylmethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
Also Known As: 8J-312S, 2-(2-{[(4-chlorophenyl)sulfonyl]methyl}-1H-1,3-benzimidazol-1-yl)-N-methyl-N-phenylacetamide, 2-[2-[(4-chlorophenyl)sulfonylmethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide, 2-{2-[(4-chlorobenzenesulfonyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-phenylacetamide
| Molecular Formula | C23H20ClN3O3S |
|---|---|
| Molecular Weight | 453.09 g/mol |
| LogP | 4.3266 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.0914 |
| Heavy Atoms | 31 |
| Complexity | 1333.7716 |
Chemical Identifiers
| CAS Number | 339100-25-3 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N=C2CS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
8J-312S (CAS 339100-25-3), with molecular formula C23H20ClN3O3S and molecular weight 453.09 g/mol. IUPAC: 2-[2-[(4-chlorophenyl)sulfonylmethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide.
Chemical Property Profile of 8J-312S
Property Insights of 8J-312S
The XLogP value of 4.3266 indicates that 8J-312S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 8J-312S. Following Lipinski's Rule of Five, 8J-312S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8J-312S?
The CAS number of 8J-312S is 339100-25-3.
What is the molecular formula of 8J-312S?
The molecular formula of 8J-312S is C23H20ClN3O3S.
What is the molecular weight of 8J-312S?
The molecular weight of 8J-312S is 453.09 g/mol.
Where can I buy 8J-312S?
You can request a quote for 8J-312S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8J-312S?
Yes, KEHONG BIO provides custom synthesis services for 8J-312S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.