1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
TL;DR: 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine (CAS 799264-47-4) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonylbenzimidazol-2-amine
Also Known As: ML130, Noditinib, Nodithinib 1, ML130 (Nodinitib-1), 1-Tosyl-1H-benzo[d]imidazol-2-amine
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 2.16392 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 880.4279 |
Chemical Identifiers
| CAS Number | 799264-47-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N |
Product Overview
1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine (CAS 799264-47-4), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine.
Chemical Property Profile of 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
Property Insights of 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
The XLogP value of 2.16392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine. Following Lipinski's Rule of Five, 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine has 1 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 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine?
The CAS number of 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine is 799264-47-4.
What is the molecular formula of 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine?
The molecular formula of 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine is C14H13N3O2S.
What is the molecular weight of 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine?
The molecular weight of 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine is 287.07 g/mol.
Where can I buy 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine?
You can request a quote for 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.