![2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid structure](/static/products/4698/46989-59-7.webp)
2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid
TL;DR: 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid (CAS 46989-59-7) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid
Also Known As: (R)-((3-Ethoxy-1-methyl-3-oxoprop-1-enyl)amino)phenylacetic acid, 2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid, (R)-[(3-ETHOXY-1-METHYL-3-OXOPROP-1-ENYL)AMINO]PHENYLACETIC ACID
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 46989-59-7 |
|---|---|
| SMILES | CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O |
| InChIKey | SDGOHFKMDLYFMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid (CAS 46989-59-7), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: 2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid.
Chemical Property Profile of 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid
Property Insights of 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid. Following Lipinski's Rule of Five, 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid has 2 hydrogen bond donor(s) and 5 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-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid?
The CAS number of 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid is 46989-59-7.
What is the molecular formula of 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid?
The molecular formula of 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid is C14H17NO4.
What is the molecular weight of 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid?
The molecular weight of 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid is 263.12 g/mol.
Where can I buy 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid?
You can request a quote for 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.