2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-
TL;DR: 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)- (CAS 98236-55-6) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-methoxyphenyl)acetyl]amino]prop-2-enoic acid
Also Known As: Paramethoxyphenyl-acetyl dehydroalanine, N-(4-Methoxyphenylacetyl)dehydroalanine, N-p-methoxyphenylacetyl-dehydroalanine, 2-[[2-(4-methoxyphenyl)acetyl]amino]prop-2-enoic acid, 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 98236-55-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(=O)NC(=C)C(=O)O |
| InChIKey | DNBSASOCQLUZFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)- (CAS 98236-55-6), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 2-[[2-(4-methoxyphenyl)acetyl]amino]prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-
Property Insights of 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)- 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 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-?
The CAS number of 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)- is 98236-55-6.
What is the molecular formula of 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-?
The molecular formula of 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)- is C12H13NO4.
What is the molecular weight of 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-?
The molecular weight of 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)- is 235.08 g/mol.
Where can I buy 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-?
You can request a quote for 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.