BAS 00690400
TL;DR: BAS 00690400 (CAS 304881-04-7) is a chemical compound with molecular formula C20H19BrN2O4 and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]ethyl acetate
Also Known As: BAS 00690400, (E)-2-(2-benzamido-3-(4-bromophenyl)acrylamido)ethyl acetate, 2-{[2-(benzoylamino)-3-(4-bromophenyl)acryloyl]amino}ethyl acetate, 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]ethyl acetate, 2-({(2E)-3-(4-bromophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)ethyl acetate
| Molecular Formula | C20H19BrN2O4 |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 2.8993 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.05283 |
| Heavy Atoms | 27 |
| Complexity | 832.82 |
Chemical Identifiers
| CAS Number | 304881-04-7 |
|---|---|
| SMILES | CC(=O)OCCNC(=O)/C(=C\C1=CC=C(C=C1)Br)/NC(=O)C2=CC=CC=C2 |
Product Overview
BAS 00690400 (CAS 304881-04-7), with molecular formula C20H19BrN2O4 and molecular weight 430.05 g/mol. IUPAC: 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]ethyl acetate.
Chemical Property Profile of BAS 00690400
Property Insights of BAS 00690400
The XLogP value of 2.8993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00690400. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00690400. Following Lipinski's Rule of Five, BAS 00690400 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 BAS 00690400?
The CAS number of BAS 00690400 is 304881-04-7.
What is the molecular formula of BAS 00690400?
The molecular formula of BAS 00690400 is C20H19BrN2O4.
What is the molecular weight of BAS 00690400?
The molecular weight of BAS 00690400 is 430.05 g/mol.
Where can I buy BAS 00690400?
You can request a quote for BAS 00690400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690400?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.