![4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid structure](/static/products/3073/307340-35-8.webp)
4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid
TL;DR: 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid (CAS 307340-35-8) is a chemical compound with molecular formula C17H15ClN2O4 and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(3-chlorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
Also Known As: ChemDiv2_000625, 4-{3-[(3-chloroanilino)carbonyl]anilino}-4-oxobutanoic acid, 4-[3-[(3-chlorophenyl)carbamoyl]anilino]-4-oxobutanoic acid, AN-329/11638061, 4-((3-((3-Chlorophenyl)carbamoyl)phenyl)amino)-4-oxobutanoic acid
| Molecular Formula | C17H15ClN2O4 |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.07202 |
| Heavy Atoms | 24 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 307340-35-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CCC(=O)O)C(=O)NC2=CC(=CC=C2)Cl |
| InChIKey | PSCRNIQGBCBXPU-UHFFFAOYSA-N |
Product Overview
4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid (CAS 307340-35-8), with molecular formula C17H15ClN2O4 and molecular weight 346.07 g/mol. IUPAC: 4-[3-[(3-chlorophenyl)carbamoyl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid
Property Insights of 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 4 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-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid?
The CAS number of 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid is 307340-35-8.
What is the molecular formula of 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid?
The molecular formula of 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid is C17H15ClN2O4.
What is the molecular weight of 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid?
The molecular weight of 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid is 346.07 g/mol.
Where can I buy 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid?
You can request a quote for 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic 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-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-[(3-Chloroanilino)carbonyl]anilino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.