![(2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid structure](/static/products/3684/36847-88-8.webp)
(2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid
TL;DR: (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid (CAS 36847-88-8) is a chemical compound with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloroanilino)-4-oxobut-2-enoic acid
Also Known As: NCIOpen2_002612, N-(3-CHLOROPHENYL)MALEAMIC ACID, 4-(3-chloroanilino)-4-oxobut-2-enoic acid, (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid, 4-(3-chloroanilino)-4-oxo-but-2-enoic acid
| Molecular Formula | C10H8ClNO3 |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.01927 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 36847-88-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)C=CC(=O)O |
| InChIKey | VGCOUGYIWJRLKT-UHFFFAOYSA-N |
Product Overview
(2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid (CAS 36847-88-8), with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol. IUPAC: 4-(3-chloroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid
Property Insights of (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid has 2 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 (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid is 36847-88-8.
What is the molecular formula of (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid is C10H8ClNO3.
What is the molecular weight of (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid is 225.02 g/mol.
Where can I buy (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-[(3-chlorophenyl)amino]-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 (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.