Compound 2
TL;DR: Compound 2 (CAS 831239-84-0) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
Also Known As: Compound 2, compound 2 [PMID: 25408830], N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide, N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide, Benzenesulfonamide, N-(2,3-dihydro-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2,4-dimethyl-
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.29464 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 1108.0466 |
Chemical Identifiers
| CAS Number | 831239-84-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C)C |
Product Overview
Compound 2 (CAS 831239-84-0), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide.
Chemical Property Profile of Compound 2
Property Insights of Compound 2
The XLogP value of 2.29464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Compound 2. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Compound 2. Following Lipinski's Rule of Five, Compound 2 has 1 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 Compound 2?
The CAS number of Compound 2 is 831239-84-0.
What is the molecular formula of Compound 2?
The molecular formula of Compound 2 is C17H19N3O3S.
What is the molecular weight of Compound 2?
The molecular weight of Compound 2 is 345.11 g/mol.
Where can I buy Compound 2?
You can request a quote for Compound 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 2?
Yes, KEHONG BIO provides custom synthesis services for Compound 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.