4J-313S
TL;DR: 4J-313S (CAS 338422-99-4) is a chemical compound with molecular formula C19H20ClN3O and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]benzamide
Also Known As: 4J-313S, 3-Chloro-N-(2-methyl-1-(5-methyl-1H-1,3-benzimidazol-2-yl)propyl)benzenecarboxamide, 3-chloro-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]benzamide, 3-chloro-N-[2-methyl-1-(5-methyl-1H-1,3-benzodiazol-2-yl)propyl]benzamide, 3-chloro-N-[2-methyl-1-(5-methyl-1H-1,3-benzimidazol-2-yl)propyl]benzenecarboxamide
| Molecular Formula | C19H20ClN3O |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 4.65182 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1295 |
| Heavy Atoms | 24 |
| Complexity | 885.2042 |
Chemical Identifiers
| CAS Number | 338422-99-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)C(C(C)C)NC(=O)C3=CC(=CC=C3)Cl |
Product Overview
4J-313S (CAS 338422-99-4), with molecular formula C19H20ClN3O and molecular weight 341.13 g/mol. IUPAC: 3-chloro-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]benzamide.
Chemical Property Profile of 4J-313S
Property Insights of 4J-313S
The XLogP value of 4.65182 indicates that 4J-313S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.78 Ų, 4J-313S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-313S has 2 hydrogen bond donor(s) and 2 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 4J-313S?
The CAS number of 4J-313S is 338422-99-4.
What is the molecular formula of 4J-313S?
The molecular formula of 4J-313S is C19H20ClN3O.
What is the molecular weight of 4J-313S?
The molecular weight of 4J-313S is 341.13 g/mol.
Where can I buy 4J-313S?
You can request a quote for 4J-313S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-313S?
Yes, KEHONG BIO provides custom synthesis services for 4J-313S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.