![4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid structure](/static/products/3290/329049-84-5.webp)
4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid
TL;DR: 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid (CAS 329049-84-5) is a chemical compound with molecular formula C14H13NO7 and molecular weight 307.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid
Also Known As: 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid, 4-[3,5-bis(methoxycarbonyl)anilino]-4-oxo-2-butenoic acid, (E)-4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid, 3-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]prop-2-enoic Acid, 1,3-benzenedicarboxylic acid, 5-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-, 1,3-dimethyl ester
| Molecular Formula | C14H13NO7 |
|---|---|
| Molecular Weight | 307.07 g/mol |
| LogP | 0.8391 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.0692 |
| Heavy Atoms | 22 |
| Complexity | 614.3415 |
Chemical Identifiers
| CAS Number | 329049-84-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C(=O)O)C(=O)OC |
Product Overview
4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid (CAS 329049-84-5), with molecular formula C14H13NO7 and molecular weight 307.07 g/mol. IUPAC: (E)-4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid
Property Insights of 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid
The XLogP value of 0.8391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid has 2 hydrogen bond donor(s) and 6 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-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid?
The CAS number of 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid is 329049-84-5.
What is the molecular formula of 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid?
The molecular formula of 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid is C14H13NO7.
What is the molecular weight of 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid?
The molecular weight of 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid is 307.07 g/mol.
Where can I buy 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid?
You can request a quote for 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-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-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.