1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate
TL;DR: 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate (CAS 335391-08-7) is a chemical compound with molecular formula C19H18ClNO4 and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-1-phenylpropan-2-yl) 4-(3-chloroanilino)-4-oxobutanoate
Also Known As: BAS 02800679, (1-oxo-1-phenylpropan-2-yl) 4-(3-chloroanilino)-4-oxobutanoate, 1-methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate, 1-oxo-1-phenylpropan-2-yl 4-((3-chlorophenyl)amino)-4-oxobutanoate, 1-oxo-1-phenylpropan-2-yl 4-[(3-chlorophenyl)amino]-4-oxobutanoate
| Molecular Formula | C19H18ClNO4 |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 3.8733 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.09244 |
| Heavy Atoms | 25 |
| Complexity | 761.02924 |
Chemical Identifiers
| CAS Number | 335391-08-7 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CC=C1)OC(=O)CCC(=O)NC2=CC(=CC=C2)Cl |
Product Overview
1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate (CAS 335391-08-7), with molecular formula C19H18ClNO4 and molecular weight 359.09 g/mol. IUPAC: (1-oxo-1-phenylpropan-2-yl) 4-(3-chloroanilino)-4-oxobutanoate.
Chemical Property Profile of 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate
Property Insights of 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate
The XLogP value of 3.8733 indicates that 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-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 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-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 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate?
The CAS number of 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate is 335391-08-7.
What is the molecular formula of 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate?
The molecular formula of 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate is C19H18ClNO4.
What is the molecular weight of 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate?
The molecular weight of 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate is 359.09 g/mol.
Where can I buy 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate?
You can request a quote for 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.