![4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid structure](/static/products/871/871109-58-9.png)
4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid
TL;DR: 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid (CAS 871109-58-9) is a chemical compound with molecular formula C12H11NO6 and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxy-4-methoxycarbonylanilino)-4-oxobut-2-enoic acid
Also Known As: 4-[3-hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid, 4-(3-hydroxy-4-methoxycarbonylanilino)-4-oxobut-2-enoic acid, 3-[(3-hydroxy-4-methoxycarbonyl-phenyl)carbamoyl]prop-2-enoic Acid, (E)-4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid, 3-{[3-HYDROXY-4-(METHOXYCARBONYL)PHENYL]CARBAMOYL}PROP-2-ENOIC ACID
| Molecular Formula | C12H11NO6 |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 0.7581 |
| Topological Polar Surface Area | 112.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.05862 |
| Heavy Atoms | 19 |
| Complexity | 549.15063 |
Chemical Identifiers
| CAS Number | 871109-58-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)NC(=O)C=CC(=O)O)O |
Product Overview
4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid (CAS 871109-58-9), with molecular formula C12H11NO6 and molecular weight 265.06 g/mol. IUPAC: 4-(3-hydroxy-4-methoxycarbonylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid
Property Insights of 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid
The XLogP value of 0.7581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid. The TPSA of 112.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid has 3 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 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid?
The CAS number of 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid is 871109-58-9.
What is the molecular formula of 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid?
The molecular formula of 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid is C12H11NO6.
What is the molecular weight of 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid?
The molecular weight of 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid is 265.06 g/mol.
Where can I buy 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid?
You can request a quote for 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic 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-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-Hydroxy-4-(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.