![4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid structure](/static/products/1164/1164482-89-6.webp)
4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid
TL;DR: 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid (CAS 1164482-89-6) is a chemical compound with molecular formula C20H16N2O7 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-(3-carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid
Also Known As: 4,4'-[oxybis(4,1-phenyleneimino)]bis(4-oxo-2-butenoic acid), (E)-4-[4-(4-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}phenoxy)anilino]-4-oxo-2-butenoic acid, 4-[4-[4-[(4-hydroxy-4-oxobut-2-enoyl)amino]phenoxy]anilino]-4-oxobut-2-enoic acid
| Molecular Formula | C20H16N2O7 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 2.6375 |
| Topological Polar Surface Area | 142.03 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.09576 |
| Heavy Atoms | 29 |
| Complexity | 881.82916 |
Chemical Identifiers
| CAS Number | 1164482-89-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C=CC(=O)O)OC2=CC=C(C=C2)NC(=O)C=CC(=O)O |
Product Overview
4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid (CAS 1164482-89-6), with molecular formula C20H16N2O7 and molecular weight 396.10 g/mol. IUPAC: 4-[4-[4-(3-carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid
Property Insights of 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid
The XLogP value of 2.6375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid. The TPSA of 142.03 Ų indicates high polarity, suggesting 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid has 4 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-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid?
The CAS number of 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid is 1164482-89-6.
What is the molecular formula of 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid is C20H16N2O7.
What is the molecular weight of 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid is 396.10 g/mol.
Where can I buy 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]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-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-[4-(3-Carboxyprop-2-enoylamino)phenoxy]anilino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.