Methyl alpha-acetamidocinnamate
TL;DR: Methyl alpha-acetamidocinnamate (CAS 64590-81-4) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-phenylprop-2-enoate
Also Known As: Methyl Acetamidocinnamate, methyl alpha-acetamidocinnamate, (Z)-Methyl 2-acetamido-3-phenylacrylate, methyl-2-acetamido-3-phenylpropenoate, methyl 2-acetamido-3-phenylprop-2-enoate
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 64590-81-4 |
|---|---|
| SMILES | CC(=O)NC(=CC1=CC=CC=C1)C(=O)OC |
| InChIKey | USKHBABPFFAKJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl alpha-acetamidocinnamate (CAS 64590-81-4), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: methyl 2-acetamido-3-phenylprop-2-enoate.
Chemical Property Profile of Methyl alpha-acetamidocinnamate
Property Insights of Methyl alpha-acetamidocinnamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl alpha-acetamidocinnamate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl alpha-acetamidocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl alpha-acetamidocinnamate 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 Methyl alpha-acetamidocinnamate?
The CAS number of Methyl alpha-acetamidocinnamate is 64590-81-4.
What is the molecular formula of Methyl alpha-acetamidocinnamate?
The molecular formula of Methyl alpha-acetamidocinnamate is C12H13NO3.
What is the molecular weight of Methyl alpha-acetamidocinnamate?
The molecular weight of Methyl alpha-acetamidocinnamate is 219.09 g/mol.
Where can I buy Methyl alpha-acetamidocinnamate?
You can request a quote for Methyl alpha-acetamidocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl alpha-acetamidocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl alpha-acetamidocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.