4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine
TL;DR: 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine (CAS 874592-11-7) is a chemical compound with molecular formula C12H8BrClN4 and molecular weight 321.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-6-chloro-2-phenylbenzotriazol-5-amine
Also Known As: BB 0245387, 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine, 4-bromo-6-chloro-2-phenylbenzotriazol-5-amine, 4-bromo-6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-amine, 4-Bromo-6-chloro-2-phenyl-2H-benzotriazol- 5-ylamine
| Molecular Formula | C12H8BrClN4 |
|---|---|
| Molecular Weight | 321.96 g/mol |
| LogP | 3.4186 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.9621 |
| Heavy Atoms | 18 |
| Complexity | 723.7706 |
Chemical Identifiers
| CAS Number | 874592-11-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=C3C=C(C(=C(C3=N2)Br)N)Cl |
Product Overview
4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine (CAS 874592-11-7), with molecular formula C12H8BrClN4 and molecular weight 321.96 g/mol. IUPAC: 4-bromo-6-chloro-2-phenylbenzotriazol-5-amine.
Chemical Property Profile of 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine
Property Insights of 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine
The XLogP value of 3.4186 indicates that 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-6-chloro-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-6-chloro-2-phenyl-2H-benzotriazol-5-amine?
The CAS number of 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine is 874592-11-7.
What is the molecular formula of 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine?
The molecular formula of 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine is C12H8BrClN4.
What is the molecular weight of 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine?
The molecular weight of 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine is 321.96 g/mol.
Where can I buy 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine?
You can request a quote for 4-bromo-6-chloro-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-6-chloro-2-phenyl-2H-benzotriazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-6-chloro-2-phenyl-2H-benzotriazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.