2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
TL;DR: 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine (CAS 313402-36-7) is a chemical compound with molecular formula C13H11ClN4 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methylphenyl)benzotriazol-5-amine
Also Known As: 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine, 2-(3-chloro-4-methylphenyl)benzotriazol-5-amine, 2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-amine, 2-(3-chloro-4-methylphenyl)-5-benzotriazolamine, 2-(3-chloro-4-methyl-phenyl)benzotriazol-5-amine
| Molecular Formula | C13H11ClN4 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 2.96452 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.06723 |
| Heavy Atoms | 18 |
| Complexity | 732.9345 |
Chemical Identifiers
| CAS Number | 313402-36-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)N)Cl |
Product Overview
2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine (CAS 313402-36-7), with molecular formula C13H11ClN4 and molecular weight 258.07 g/mol. IUPAC: 2-(3-chloro-4-methylphenyl)benzotriazol-5-amine.
Chemical Property Profile of 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
Property Insights of 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
The XLogP value of 2.96452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine. With a topological polar surface area (TPSA) of 56.73 Ų, 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine 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 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine?
The CAS number of 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine is 313402-36-7.
What is the molecular formula of 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine?
The molecular formula of 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine is C13H11ClN4.
What is the molecular weight of 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine?
The molecular weight of 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine is 258.07 g/mol.
Where can I buy 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine?
You can request a quote for 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.