2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine
TL;DR: 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine (CAS 696630-18-9) is a chemical compound with molecular formula C21H15BrClN3 and molecular weight 423.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1,3,4-benzotriazepine
Also Known As: A3447/0146369, 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine, 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1,3,4-benzotriazepine
| Molecular Formula | C21H15BrClN3 |
|---|---|
| Molecular Weight | 423.01 g/mol |
| LogP | 5.7515 |
| Topological Polar Surface Area | 27.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.0138 |
| Heavy Atoms | 26 |
| Complexity | 1011.186 |
Chemical Identifiers
| CAS Number | 696630-18-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)C(=NN=C1C3=CC=C(C=C3)Br)C4=CC=CC=C4 |
Product Overview
2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine (CAS 696630-18-9), with molecular formula C21H15BrClN3 and molecular weight 423.01 g/mol. IUPAC: 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1,3,4-benzotriazepine.
Chemical Property Profile of 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine
Property Insights of 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine
The XLogP value of 5.7515 indicates that 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.96 Ų, 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine?
The CAS number of 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine is 696630-18-9.
What is the molecular formula of 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine?
The molecular formula of 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine is C21H15BrClN3.
What is the molecular weight of 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine?
The molecular weight of 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine is 423.01 g/mol.
Where can I buy 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine?
You can request a quote for 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1H-1,3,4-benzotriazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.