4-Bromodiphenylamine
TL;DR: 4-Bromodiphenylamine (CAS 114744-50-2) 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.
4-bromo-N-phenylaniline
Also Known As: 4-Bromodiphenylamine, 4-bromo-N-phenylaniline, (4-bromophenyl)phenylamine, N-phenyl-4-bromoaniline, 4-bromo-N-phenyl-aniline
| 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 | 394.42673 |
Chemical Identifiers
| CAS Number | 114744-50-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)Br |
Product Overview
4-Bromodiphenylamine (CAS 114744-50-2), with molecular formula C12H10BrN and molecular weight 247.00 g/mol. IUPAC: 4-bromo-N-phenylaniline.
Chemical Property Profile of 4-Bromodiphenylamine
Property Insights of 4-Bromodiphenylamine
The XLogP value of 4.1927 indicates that 4-Bromodiphenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 4-Bromodiphenylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromodiphenylamine 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 4-Bromodiphenylamine?
The CAS number of 4-Bromodiphenylamine is 114744-50-2.
What is the molecular formula of 4-Bromodiphenylamine?
The molecular formula of 4-Bromodiphenylamine is C12H10BrN.
What is the molecular weight of 4-Bromodiphenylamine?
The molecular weight of 4-Bromodiphenylamine is 247.00 g/mol.
Where can I buy 4-Bromodiphenylamine?
You can request a quote for 4-Bromodiphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromodiphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.