4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid
TL;DR: 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid (CAS 1031361-46-2) is a chemical compound with molecular formula C12H15ClN2O4 and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid
Also Known As: 4-(3-chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid, F1278-0179, 4-((3-chlorophenyl)amino)-2-((2-hydroxyethyl)amino)-4-oxobutanoic acid, 3-[(3-chlorophenyl)carbamoyl]-2-(2-hydroxyethylamino)propanoic Acid, 3-[N-(3-chlorophenyl)carbamoyl]-2-[(2-hydroxyethyl)amino]propanoic acid
| Molecular Formula | C12H15ClN2O4 |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 0.7037 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.07202 |
| Heavy Atoms | 19 |
| Complexity | 453.11044 |
Chemical Identifiers
| CAS Number | 1031361-46-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)CC(C(=O)O)NCCO |
Product Overview
4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid (CAS 1031361-46-2), with molecular formula C12H15ClN2O4 and molecular weight 286.07 g/mol. IUPAC: 4-(3-chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid
Property Insights of 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid
The XLogP value of 0.7037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid has 4 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-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid?
The CAS number of 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid is 1031361-46-2.
What is the molecular formula of 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid?
The molecular formula of 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid is C12H15ClN2O4.
What is the molecular weight of 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid?
The molecular weight of 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid is 286.07 g/mol.
Where can I buy 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid?
You can request a quote for 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-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-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.