4-Bromobenzyl (benzoylamino)acetate
TL;DR: 4-Bromobenzyl (benzoylamino)acetate (CAS 342045-85-6) is a chemical compound with molecular formula C16H14BrNO3 and molecular weight 347.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl 2-benzamidoacetate
Also Known As: 4-bromobenzyl (benzoylamino)acetate, (4-bromophenyl)methyl 2-benzamidoacetate, AE-562/12223020
| Molecular Formula | C16H14BrNO3 |
|---|---|
| Molecular Weight | 347.02 g/mol |
| LogP | 2.9223 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.01572 |
| Heavy Atoms | 21 |
| Complexity | 611.179 |
Chemical Identifiers
| CAS Number | 342045-85-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)Br |
Product Overview
4-Bromobenzyl (benzoylamino)acetate (CAS 342045-85-6), with molecular formula C16H14BrNO3 and molecular weight 347.02 g/mol. IUPAC: (4-bromophenyl)methyl 2-benzamidoacetate.
Chemical Property Profile of 4-Bromobenzyl (benzoylamino)acetate
Property Insights of 4-Bromobenzyl (benzoylamino)acetate
The XLogP value of 2.9223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromobenzyl (benzoylamino)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Bromobenzyl (benzoylamino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobenzyl (benzoylamino)acetate 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 (benzoylamino)acetate?
The CAS number of 4-Bromobenzyl (benzoylamino)acetate is 342045-85-6.
What is the molecular formula of 4-Bromobenzyl (benzoylamino)acetate?
The molecular formula of 4-Bromobenzyl (benzoylamino)acetate is C16H14BrNO3.
What is the molecular weight of 4-Bromobenzyl (benzoylamino)acetate?
The molecular weight of 4-Bromobenzyl (benzoylamino)acetate is 347.02 g/mol.
Where can I buy 4-Bromobenzyl (benzoylamino)acetate?
You can request a quote for 4-Bromobenzyl (benzoylamino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobenzyl (benzoylamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzyl (benzoylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.