4-Bromobenzyl 2-(methylamino)benzoate
TL;DR: 4-Bromobenzyl 2-(methylamino)benzoate (CAS 516466-87-8) is a chemical compound with molecular formula C15H14BrNO2 and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl 2-(methylamino)benzoate
Also Known As: 4-bromobenzyl 2-(methylamino)benzoate, (4-bromophenyl)methyl 2-(methylamino)benzoate, AJ-292/41945072
| Molecular Formula | C15H14BrNO2 |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 3.8478 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.02078 |
| Heavy Atoms | 19 |
| Complexity | 566.61316 |
Chemical Identifiers
| CAS Number | 516466-87-8 |
|---|---|
| SMILES | CNC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)Br |
Product Overview
4-Bromobenzyl 2-(methylamino)benzoate (CAS 516466-87-8), with molecular formula C15H14BrNO2 and molecular weight 319.02 g/mol. IUPAC: (4-bromophenyl)methyl 2-(methylamino)benzoate.
Chemical Property Profile of 4-Bromobenzyl 2-(methylamino)benzoate
Property Insights of 4-Bromobenzyl 2-(methylamino)benzoate
The XLogP value of 3.8478 indicates that 4-Bromobenzyl 2-(methylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 4-Bromobenzyl 2-(methylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobenzyl 2-(methylamino)benzoate 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 4-Bromobenzyl 2-(methylamino)benzoate?
The CAS number of 4-Bromobenzyl 2-(methylamino)benzoate is 516466-87-8.
What is the molecular formula of 4-Bromobenzyl 2-(methylamino)benzoate?
The molecular formula of 4-Bromobenzyl 2-(methylamino)benzoate is C15H14BrNO2.
What is the molecular weight of 4-Bromobenzyl 2-(methylamino)benzoate?
The molecular weight of 4-Bromobenzyl 2-(methylamino)benzoate is 319.02 g/mol.
Where can I buy 4-Bromobenzyl 2-(methylamino)benzoate?
You can request a quote for 4-Bromobenzyl 2-(methylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobenzyl 2-(methylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzyl 2-(methylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.