2-Bromo-N-phenylaniline
TL;DR: 2-Bromo-N-phenylaniline (CAS 61613-22-7) is a chemical compound with molecular formula C12H10BrN and molecular weight 247.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-phenylaniline
Also Known As: 2-bromo-N-phenylaniline, 2-Bromodiphenylamine, Benzenamine, 2-bromo-N-phenyl-, 2-Bromophenylphenylamine, N-Phenyl-2-bromoaniline
| Molecular Formula | C12H10BrN |
|---|---|
| Molecular Weight | 247.00 g/mol |
| LogP | 4.1927 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.99966 |
| Heavy Atoms | 14 |
| Complexity | 411.67673 |
Chemical Identifiers
| CAS Number | 61613-22-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=CC=C2Br |
Product Overview
2-Bromo-N-phenylaniline (CAS 61613-22-7), with molecular formula C12H10BrN and molecular weight 247.00 g/mol. IUPAC: 2-bromo-N-phenylaniline.
Chemical Property Profile of 2-Bromo-N-phenylaniline
Property Insights of 2-Bromo-N-phenylaniline
The XLogP value of 4.1927 indicates that 2-Bromo-N-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-Bromo-N-phenylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-N-phenylaniline has 1 hydrogen bond donor(s) and 1 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-Bromo-N-phenylaniline?
The CAS number of 2-Bromo-N-phenylaniline is 61613-22-7.
What is the molecular formula of 2-Bromo-N-phenylaniline?
The molecular formula of 2-Bromo-N-phenylaniline is C12H10BrN.
What is the molecular weight of 2-Bromo-N-phenylaniline?
The molecular weight of 2-Bromo-N-phenylaniline is 247.00 g/mol.
Where can I buy 2-Bromo-N-phenylaniline?
You can request a quote for 2-Bromo-N-phenylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-N-phenylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-N-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.