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Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate
TL;DR: Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate (CAS 337923-05-4) is a chemical compound with molecular formula C12H13ClO4S and molecular weight 288.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)sulfinyl-3-oxobutanoate
Also Known As: ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate, ethyl 4-(4-chlorobenzenesulfinyl)-3-oxobutanoate, ethyl 4-(4-chlorophenyl)sulfinyl-3-oxobutanoate, ethyl 4-(4-chlorophenylsulfinyl)-3-oxobutanoate, ethyl4-(4-chlorobenzenesulfinyl)-3-oxobutanoate
| Molecular Formula | C12H13ClO4S |
|---|---|
| Molecular Weight | 288.02 g/mol |
| LogP | 1.9699 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.0223 |
| Heavy Atoms | 18 |
| Complexity | 455.65015 |
Chemical Identifiers
| CAS Number | 337923-05-4 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CS(=O)C1=CC=C(C=C1)Cl |
Product Overview
Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate (CAS 337923-05-4), with molecular formula C12H13ClO4S and molecular weight 288.02 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)sulfinyl-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate
Property Insights of Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate
The XLogP value of 1.9699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate has 0 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 Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate?
The CAS number of Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate is 337923-05-4.
What is the molecular formula of Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate?
The molecular formula of Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate is C12H13ClO4S.
What is the molecular weight of Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate?
The molecular weight of Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate is 288.02 g/mol.
Where can I buy Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate?
You can request a quote for Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-chlorophenyl)sulfinyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.