8J-313S
TL;DR: 8J-313S (CAS 339100-28-6) is a chemical compound with molecular formula C23H20ClN3O2S and molecular weight 437.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4-chlorophenyl)sulfinylmethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
Also Known As: 8J-313S, 2-(2-{[(4-chlorophenyl)sulfinyl]methyl}-1H-1,3-benzimidazol-1-yl)-N-methyl-N-phenylacetamide, 2-[2-[(4-chlorophenyl)sulfinylmethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide, 2-[[(4-Chlorophenyl)sulfinyl]methyl]-N-methyl-N-phenyl-1H-benzimidazole-1-acetamide, 2-[2-[(4-chlorophenyl)sulfinylmethyl]benzoimidazol-1-yl]-N-methyl-N-phenyl-acetamide
| Molecular Formula | C23H20ClN3O2S |
|---|---|
| Molecular Weight | 437.10 g/mol |
| LogP | 4.6605 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.09647 |
| Heavy Atoms | 30 |
| Complexity | 1206.3455 |
Chemical Identifiers
| CAS Number | 339100-28-6 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N=C2CS(=O)C4=CC=C(C=C4)Cl |
Product Overview
8J-313S (CAS 339100-28-6), with molecular formula C23H20ClN3O2S and molecular weight 437.10 g/mol. IUPAC: 2-[2-[(4-chlorophenyl)sulfinylmethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide.
Chemical Property Profile of 8J-313S
Property Insights of 8J-313S
The XLogP value of 4.6605 indicates that 8J-313S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 8J-313S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8J-313S has 0 hydrogen bond donor(s) and 3 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-313S?
The CAS number of 8J-313S is 339100-28-6.
What is the molecular formula of 8J-313S?
The molecular formula of 8J-313S is C23H20ClN3O2S.
What is the molecular weight of 8J-313S?
The molecular weight of 8J-313S is 437.10 g/mol.
Where can I buy 8J-313S?
You can request a quote for 8J-313S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8J-313S?
Yes, KEHONG BIO provides custom synthesis services for 8J-313S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.