4-bromo-2-phenyl-2H-benzotriazol-5-amine
TL;DR: 4-bromo-2-phenyl-2H-benzotriazol-5-amine (CAS 879020-84-5) is a chemical compound with molecular formula C12H9BrN4 and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-phenylbenzotriazol-5-amine
Also Known As: 4-bromo-2-phenyl-2H-benzotriazol-5-amine, 4-bromo-2-phenylbenzotriazol-5-amine, 4-Bromo-2-phenyl-2H-benzotriazol-5-ylamine, BB 0245844, 4-bromo-2-phenyl-2-hydrobenzotriazole-5-ylamine
| Molecular Formula | C12H9BrN4 |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 2.7652 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.00107 |
| Heavy Atoms | 17 |
| Complexity | 675.5384 |
Chemical Identifiers
| CAS Number | 879020-84-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=C3C=CC(=C(C3=N2)Br)N |
Product Overview
4-bromo-2-phenyl-2H-benzotriazol-5-amine (CAS 879020-84-5), with molecular formula C12H9BrN4 and molecular weight 288.00 g/mol. IUPAC: 4-bromo-2-phenylbenzotriazol-5-amine.
Chemical Property Profile of 4-bromo-2-phenyl-2H-benzotriazol-5-amine
Property Insights of 4-bromo-2-phenyl-2H-benzotriazol-5-amine
The XLogP value of 2.7652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-2-phenyl-2H-benzotriazol-5-amine. With a topological polar surface area (TPSA) of 56.73 Ų, 4-bromo-2-phenyl-2H-benzotriazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-2-phenyl-2H-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 4-bromo-2-phenyl-2H-benzotriazol-5-amine?
The CAS number of 4-bromo-2-phenyl-2H-benzotriazol-5-amine is 879020-84-5.
What is the molecular formula of 4-bromo-2-phenyl-2H-benzotriazol-5-amine?
The molecular formula of 4-bromo-2-phenyl-2H-benzotriazol-5-amine is C12H9BrN4.
What is the molecular weight of 4-bromo-2-phenyl-2H-benzotriazol-5-amine?
The molecular weight of 4-bromo-2-phenyl-2H-benzotriazol-5-amine is 288.00 g/mol.
Where can I buy 4-bromo-2-phenyl-2H-benzotriazol-5-amine?
You can request a quote for 4-bromo-2-phenyl-2H-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 4-bromo-2-phenyl-2H-benzotriazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-2-phenyl-2H-benzotriazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.