3'-Chloromaleanilic acid
TL;DR: 3'-Chloromaleanilic acid (CAS 18196-80-0) 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.
(E)-4-(3-chloroanilino)-4-oxobut-2-enoic acid
Also Known As: 3'-Chloromaleanilic acid, N-(4-Brom-phenyl)-maleamidsaeure, 4- -4-OXOBUT-2-ENOICACID, (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid, N-(3-CHLOROPHENYL)MALEAMICACID
| 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 | 18196-80-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)/C=C/C(=O)O |
| InChIKey | VGCOUGYIWJRLKT-SNAWJCMRSA-N |
Product Overview
3'-Chloromaleanilic acid (CAS 18196-80-0), with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol. IUPAC: (E)-4-(3-chloroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 3'-Chloromaleanilic acid
Property Insights of 3'-Chloromaleanilic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Chloromaleanilic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Chloromaleanilic acid. Following Lipinski's Rule of Five, 3'-Chloromaleanilic 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 3'-Chloromaleanilic acid?
The CAS number of 3'-Chloromaleanilic acid is 18196-80-0.
What is the molecular formula of 3'-Chloromaleanilic acid?
The molecular formula of 3'-Chloromaleanilic acid is C10H8ClNO3.
What is the molecular weight of 3'-Chloromaleanilic acid?
The molecular weight of 3'-Chloromaleanilic acid is 225.02 g/mol.
Where can I buy 3'-Chloromaleanilic acid?
You can request a quote for 3'-Chloromaleanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Chloromaleanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3'-Chloromaleanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.