(Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid
TL;DR: (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid (CAS 683248-10-4) is a chemical compound with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(3-chloro-2-methylanilino)-3-methyl-4-oxobut-2-enoic acid
Also Known As: (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid, F1107-0009, (Z)-3-(N-3-chloro-2-tolylcarbamoyl)-2-butenoic acid, 3-[(3-chloro-2-methyl-phenyl)carbamoyl]but-2-enoic Acid, (2Z)-3-[N-(3-chloro-2-methylphenyl)carbamoyl]but-2-enoic acid
| Molecular Formula | C12H12ClNO3 |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 2.61782 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.05057 |
| Heavy Atoms | 17 |
| Complexity | 494.52414 |
Chemical Identifiers
| CAS Number | 683248-10-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)/C(=C\C(=O)O)/C |
Product Overview
(Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid (CAS 683248-10-4), with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol. IUPAC: (Z)-4-(3-chloro-2-methylanilino)-3-methyl-4-oxobut-2-enoic acid.
Chemical Property Profile of (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid
Property Insights of (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid
The XLogP value of 2.61782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 2 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 (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid?
The CAS number of (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid is 683248-10-4.
What is the molecular formula of (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid?
The molecular formula of (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid is C12H12ClNO3.
What is the molecular weight of (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid?
The molecular weight of (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid is 253.05 g/mol.
Where can I buy (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid?
You can request a quote for (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-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 (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((3-chloro-2-methylphenyl)amino)-3-methyl-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.