![4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid structure](/static/products/622/62268-22-8.png)
4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid
TL;DR: 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid (CAS 62268-22-8) 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.
4-[3-(1-hydroxyethyl)anilino]-4-oxobut-2-enoic acid
Also Known As: 4-[3-(1-hydroxyethyl)anilino]-4-oxobut-2-enoic acid, (E)-3-[[3-(1-hydroxyethyl)phenyl]carbamoyl]prop-2-enoic Acid, 2-Butenoic acid, 4-[[3-(1-hydroxyethyl)phenyl]amino]-4-oxo-, 2-Butenoic acid, 4-[[3-(1-hydroxyethyl)phenyl]amino]-4-oxo-, (Z)-
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.3192 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 451.5738 |
Chemical Identifiers
| CAS Number | 62268-22-8 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)NC(=O)C=CC(=O)O)O |
Product Overview
4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid (CAS 62268-22-8), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 4-[3-(1-hydroxyethyl)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid
Property Insights of 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid
The XLogP value of 1.3192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid has 3 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 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid?
The CAS number of 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid is 62268-22-8.
What is the molecular formula of 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid is C12H13NO4.
What is the molecular weight of 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid is 235.08 g/mol.
Where can I buy 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(1-Hydroxyethyl)anilino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.