![benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate structure](/static/products/116/1164466-28-7.png)
benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate
TL;DR: benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate (CAS 1164466-28-7) is a chemical compound with molecular formula C25H21BrN2O4 and molecular weight 492.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]acetate
Also Known As: benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate, A1273/0058222, (E)-benzyl 2-(2-benzamido-3-(4-bromophenyl)acrylamido)acetate, benzyl 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]acetate, benzyl {[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]amino}acetate
| Molecular Formula | C25H21BrN2O4 |
|---|---|
| Molecular Weight | 492.07 g/mol |
| LogP | 4.0796 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.06848 |
| Heavy Atoms | 32 |
| Complexity | 1097.8054 |
Chemical Identifiers
| CAS Number | 1164466-28-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CNC(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3 |
Product Overview
benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate (CAS 1164466-28-7), with molecular formula C25H21BrN2O4 and molecular weight 492.07 g/mol. IUPAC: benzyl 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]acetate.
Chemical Property Profile of benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate
Property Insights of benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate
The XLogP value of 4.0796 indicates that benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate. Following Lipinski's Rule of Five, benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate has 2 hydrogen bond donor(s) and 4 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 benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate?
The CAS number of benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate is 1164466-28-7.
What is the molecular formula of benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate?
The molecular formula of benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate is C25H21BrN2O4.
What is the molecular weight of benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate?
The molecular weight of benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate is 492.07 g/mol.
Where can I buy benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate?
You can request a quote for benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.