2-(4-Bromobenzoyl)-4-methylaniline
TL;DR: 2-(4-Bromobenzoyl)-4-methylaniline (CAS 91713-57-4) is a chemical compound with molecular formula C14H12BrNO and molecular weight 289.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-5-methylphenyl)-(4-bromophenyl)methanone
Also Known As: 2-(4-BROMOBENZOYL)-4-METHYLANILINE, (2-amino-5-methylphenyl)(4-bromophenyl)methanone, (2-amino-5-methyl-phenyl)-(4-bromophenyl)methanone, (2-amino-5-methylphenyl)-(4-bromophenyl)methanone, Methanone, (2-amino-5-methylphenyl)(4-bromophenyl)
| Molecular Formula | C14H12BrNO |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | 3.57072 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.01022 |
| Heavy Atoms | 17 |
| Complexity | 560.93494 |
Chemical Identifiers
| CAS Number | 91713-57-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N)C(=O)C2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromobenzoyl)-4-methylaniline (CAS 91713-57-4), with molecular formula C14H12BrNO and molecular weight 289.01 g/mol. IUPAC: (2-amino-5-methylphenyl)-(4-bromophenyl)methanone.
Chemical Property Profile of 2-(4-Bromobenzoyl)-4-methylaniline
Property Insights of 2-(4-Bromobenzoyl)-4-methylaniline
The XLogP value of 3.57072 indicates that 2-(4-Bromobenzoyl)-4-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.09 Ų, 2-(4-Bromobenzoyl)-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromobenzoyl)-4-methylaniline has 1 hydrogen bond donor(s) and 2 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-(4-Bromobenzoyl)-4-methylaniline?
The CAS number of 2-(4-Bromobenzoyl)-4-methylaniline is 91713-57-4.
What is the molecular formula of 2-(4-Bromobenzoyl)-4-methylaniline?
The molecular formula of 2-(4-Bromobenzoyl)-4-methylaniline is C14H12BrNO.
What is the molecular weight of 2-(4-Bromobenzoyl)-4-methylaniline?
The molecular weight of 2-(4-Bromobenzoyl)-4-methylaniline is 289.01 g/mol.
Where can I buy 2-(4-Bromobenzoyl)-4-methylaniline?
You can request a quote for 2-(4-Bromobenzoyl)-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromobenzoyl)-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromobenzoyl)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.