N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline
TL;DR: N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline (CAS 162885-24-7) is a chemical compound with molecular formula C13H11BrN4 and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-2-bromoaniline
Also Known As: starbld0046518, N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline, N-(benzotriazol-1-ylmethyl)-2-bromoaniline, BAS 00263163, (benzotriazolylmethyl)(2-bromophenyl)amine
| Molecular Formula | C13H11BrN4 |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 3.2634 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.01672 |
| Heavy Atoms | 18 |
| Complexity | 677.3178 |
Chemical Identifiers
| CAS Number | 162885-24-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=CC=CC=C3Br |
Product Overview
N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline (CAS 162885-24-7), with molecular formula C13H11BrN4 and molecular weight 302.02 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-2-bromoaniline.
Chemical Property Profile of N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline
Property Insights of N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline
The XLogP value of 3.2634 indicates that N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline 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 N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline?
The CAS number of N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline is 162885-24-7.
What is the molecular formula of N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline?
The molecular formula of N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline is C13H11BrN4.
What is the molecular weight of N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline?
The molecular weight of N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline is 302.02 g/mol.
Where can I buy N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline?
You can request a quote for N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-benzotriazol-1-ylmethyl)-2-bromoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.