2-(Acetylamino)-3-phenyl-2-propenoic acid
TL;DR: 2-(Acetylamino)-3-phenyl-2-propenoic acid (CAS 5469-45-4) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-phenylprop-2-enoic acid
Also Known As: alpha-Acetamidocinnamic acid, Acetamidocinnamic acid, Ambap328, acetylaminocinnamic acid, 1-Acetamidocinnamic acid
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 5469-45-4 |
|---|---|
| SMILES | CC(=O)NC(=CC1=CC=CC=C1)C(=O)O |
| InChIKey | XODAOBAZOQSFDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Acetylamino)-3-phenyl-2-propenoic acid (CAS 5469-45-4), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 2-acetamido-3-phenylprop-2-enoic acid.
Chemical Property Profile of 2-(Acetylamino)-3-phenyl-2-propenoic acid
Property Insights of 2-(Acetylamino)-3-phenyl-2-propenoic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-3-phenyl-2-propenoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-3-phenyl-2-propenoic acid. Following Lipinski's Rule of Five, 2-(Acetylamino)-3-phenyl-2-propenoic acid has 2 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 2-(Acetylamino)-3-phenyl-2-propenoic acid?
The CAS number of 2-(Acetylamino)-3-phenyl-2-propenoic acid is 5469-45-4.
What is the molecular formula of 2-(Acetylamino)-3-phenyl-2-propenoic acid?
The molecular formula of 2-(Acetylamino)-3-phenyl-2-propenoic acid is C11H11NO3.
What is the molecular weight of 2-(Acetylamino)-3-phenyl-2-propenoic acid?
The molecular weight of 2-(Acetylamino)-3-phenyl-2-propenoic acid is 205.07 g/mol.
Where can I buy 2-(Acetylamino)-3-phenyl-2-propenoic acid?
You can request a quote for 2-(Acetylamino)-3-phenyl-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-3-phenyl-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-3-phenyl-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.