![4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid structure](/static/products/724/724736-61-2.png)
4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid
TL;DR: 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid (CAS 724736-61-2) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(hydroxymethyl)anilino]-4-oxobut-2-enoic acid
Also Known As: AQ-360/42595945, 4-[2-(hydroxymethyl)anilino]-4-oxo-2-butenoic acid, 4-[2-(hydroxymethyl)anilino]-4-oxobut-2-enoic acid
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 0.7582 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 425.74768 |
Chemical Identifiers
| CAS Number | 724736-61-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CO)NC(=O)C=CC(=O)O |
Product Overview
4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid (CAS 724736-61-2), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 4-[2-(hydroxymethyl)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid
Property Insights of 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid
The XLogP value of 0.7582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[2-(Hydroxymethyl)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-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid?
The CAS number of 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid is 724736-61-2.
What is the molecular formula of 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid is C11H11NO4.
What is the molecular weight of 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid is 221.07 g/mol.
Where can I buy 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[2-(Hydroxymethyl)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-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(Hydroxymethyl)anilino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.