4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid
TL;DR: 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid (CAS 1037587-74-8) is a chemical compound with molecular formula C12H14Cl2N2O3 and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid
Also Known As: 4-(2,5-dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid, 4-((2,5-dichlorophenyl)amino)-2-(ethylamino)-4-oxobutanoic acid, F2721-0338, 3-[(2,5-dichlorophenyl)carbamoyl]-2-ethylamino-propanoic Acid, 3-[N-(2,5-dichlorophenyl)carbamoyl]-2-(ethylamino)propanoic acid
| Molecular Formula | C12H14Cl2N2O3 |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 2.3847 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.03815 |
| Heavy Atoms | 19 |
| Complexity | 480.04233 |
Chemical Identifiers
| CAS Number | 1037587-74-8 |
|---|---|
| SMILES | CCNC(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)O |
Product Overview
4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid (CAS 1037587-74-8), with molecular formula C12H14Cl2N2O3 and molecular weight 304.04 g/mol. IUPAC: 4-(2,5-dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid
Property Insights of 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid
The XLogP value of 2.3847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid has 3 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 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid?
The CAS number of 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid is 1037587-74-8.
What is the molecular formula of 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid?
The molecular formula of 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid is C12H14Cl2N2O3.
What is the molecular weight of 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid?
The molecular weight of 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid is 304.04 g/mol.
Where can I buy 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid?
You can request a quote for 4-(2,5-Dichloroanilino)-2-(ethylamino)-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-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.