Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate
TL;DR: Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate (CAS 459201-07-1) is a chemical compound with molecular formula C11H13NO6S2 and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate
Also Known As: ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate, ethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate, ETHYL 2-[(4-METHANESULFONYL-2-NITROPHENYL)SULFANYL]ACETATE, ethyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate, F1209-0142
| Molecular Formula | C11H13NO6S2 |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 1.6535 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.01843 |
| Heavy Atoms | 20 |
| Complexity | 625.80054 |
Chemical Identifiers
| CAS Number | 459201-07-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate (CAS 459201-07-1), with molecular formula C11H13NO6S2 and molecular weight 319.02 g/mol. IUPAC: ethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate
Property Insights of Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate
The XLogP value of 1.6535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate has 0 hydrogen bond donor(s) and 7 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-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate?
The CAS number of Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate is 459201-07-1.
What is the molecular formula of Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate?
The molecular formula of Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate is C11H13NO6S2.
What is the molecular weight of Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate?
The molecular weight of Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate is 319.02 g/mol.
Where can I buy Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate?
You can request a quote for Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.