Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate
TL;DR: Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate (CAS 22956-94-1) is a chemical compound with molecular formula C12H13NO5S and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate
Also Known As: 2-oxo-1-ethoxycarbonylpropyl 2-nitrophenyl sulfide, J3.522.009G, ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate, ethyl 2-[(2-nitrophenyl)sulfanyl]-3-oxobutanoate, 2-[(2-Nitrophenyl)thio]-3-oxobutanoic acid ethyl ester
| Molecular Formula | C12H13NO5S |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 2.2076 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.05145 |
| Heavy Atoms | 19 |
| Complexity | 502.64804 |
Chemical Identifiers
| CAS Number | 22956-94-1 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)SC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate (CAS 22956-94-1), with molecular formula C12H13NO5S and molecular weight 283.05 g/mol. IUPAC: ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate
Property Insights of Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate
The XLogP value of 2.2076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate has 0 hydrogen bond donor(s) and 6 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 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate?
The CAS number of Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate is 22956-94-1.
What is the molecular formula of Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate?
The molecular formula of Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate is C12H13NO5S.
What is the molecular weight of Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate?
The molecular weight of Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate is 283.05 g/mol.
Where can I buy Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate?
You can request a quote for Ethyl 2-(2-nitrophenyl)sulfanyl-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 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-nitrophenyl)sulfanyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.