2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate
TL;DR: 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate (CAS 311331-14-3) is a chemical compound with molecular formula C18H15Cl2NO4 and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 4-(3,4-dichloroanilino)-4-oxobutanoate
Also Known As: BAS 00293772, phenacyl 4-(3,4-dichloroanilino)-4-oxobutanoate, A1151/0053832, 2-oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate, 2-oxo-2-phenylethyl 4-((3,4-dichlorophenyl)amino)-4-oxobutanoate
| Molecular Formula | C18H15Cl2NO4 |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | 4.1382 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.0378 |
| Heavy Atoms | 25 |
| Complexity | 777.90045 |
Chemical Identifiers
| CAS Number | 311331-14-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate (CAS 311331-14-3), with molecular formula C18H15Cl2NO4 and molecular weight 379.04 g/mol. IUPAC: phenacyl 4-(3,4-dichloroanilino)-4-oxobutanoate.
Chemical Property Profile of 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate
Property Insights of 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate
The XLogP value of 4.1382 indicates that 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate has 1 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 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate?
The CAS number of 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate is 311331-14-3.
What is the molecular formula of 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate?
The molecular formula of 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate is C18H15Cl2NO4.
What is the molecular weight of 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate?
The molecular weight of 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate is 379.04 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate?
You can request a quote for 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl 4-(3,4-dichloroanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.