4-Bromobenzyl 2-(benzoylamino)benzoate
TL;DR: 4-Bromobenzyl 2-(benzoylamino)benzoate (CAS 516466-49-2) is a chemical compound with molecular formula C21H16BrNO3 and molecular weight 409.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl 2-benzamidobenzoate
Also Known As: 4-bromobenzyl 2-(benzoylamino)benzoate, 4-bromobenzyl 2-benzamidobenzoate, (4-bromophenyl)methyl 2-benzamidobenzoate, (4-bromophenyl)methyl 2-(phenylcarbonylamino)benzoate
| Molecular Formula | C21H16BrNO3 |
|---|---|
| Molecular Weight | 409.03 g/mol |
| LogP | 5.0584 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.03137 |
| Heavy Atoms | 26 |
| Complexity | 908.054 |
Chemical Identifiers
| CAS Number | 516466-49-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)Br |
Product Overview
4-Bromobenzyl 2-(benzoylamino)benzoate (CAS 516466-49-2), with molecular formula C21H16BrNO3 and molecular weight 409.03 g/mol. IUPAC: (4-bromophenyl)methyl 2-benzamidobenzoate.
Chemical Property Profile of 4-Bromobenzyl 2-(benzoylamino)benzoate
Property Insights of 4-Bromobenzyl 2-(benzoylamino)benzoate
The XLogP value of 5.0584 indicates that 4-Bromobenzyl 2-(benzoylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Bromobenzyl 2-(benzoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobenzyl 2-(benzoylamino)benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromobenzyl 2-(benzoylamino)benzoate?
The CAS number of 4-Bromobenzyl 2-(benzoylamino)benzoate is 516466-49-2.
What is the molecular formula of 4-Bromobenzyl 2-(benzoylamino)benzoate?
The molecular formula of 4-Bromobenzyl 2-(benzoylamino)benzoate is C21H16BrNO3.
What is the molecular weight of 4-Bromobenzyl 2-(benzoylamino)benzoate?
The molecular weight of 4-Bromobenzyl 2-(benzoylamino)benzoate is 409.03 g/mol.
Where can I buy 4-Bromobenzyl 2-(benzoylamino)benzoate?
You can request a quote for 4-Bromobenzyl 2-(benzoylamino)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-(benzoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzyl 2-(benzoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.