Methyl 2-(2,4-dinitrophenyl)sulfonylacetate
TL;DR: Methyl 2-(2,4-dinitrophenyl)sulfonylacetate (CAS 185299-22-3) is a chemical compound with molecular formula C9H8N2O8S and molecular weight 304.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dinitrophenyl)sulfonylacetate
Also Known As: methyl 2-(2,4-dinitrophenyl)sulfonylacetate, 2-(4-Nitro-2-nitrophenylsulfonyl)acetic acid methyl ester, Methyl (2,4-dinitrobenzene-1-sulfonyl)acetate, METHYL 2-(2,4-DINITROBENZENESULFONYL)ACETATE, Acetic acid, [(2,4-dinitrophenyl)sulfonyl]-, methyl ester
| Molecular Formula | C9H8N2O8S |
|---|---|
| Molecular Weight | 304.00 g/mol |
| LogP | 0.4497 |
| Topological Polar Surface Area | 146.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.00012 |
| Heavy Atoms | 20 |
| Complexity | 681.188 |
Chemical Identifiers
| CAS Number | 185299-22-3 |
|---|---|
| SMILES | COC(=O)CS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Methyl 2-(2,4-dinitrophenyl)sulfonylacetate (CAS 185299-22-3), with molecular formula C9H8N2O8S and molecular weight 304.00 g/mol. IUPAC: methyl 2-(2,4-dinitrophenyl)sulfonylacetate.
Chemical Property Profile of Methyl 2-(2,4-dinitrophenyl)sulfonylacetate
Property Insights of Methyl 2-(2,4-dinitrophenyl)sulfonylacetate
The XLogP value of 0.4497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2,4-dinitrophenyl)sulfonylacetate. The TPSA of 146.72 Ų indicates high polarity, suggesting Methyl 2-(2,4-dinitrophenyl)sulfonylacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-(2,4-dinitrophenyl)sulfonylacetate has 0 hydrogen bond donor(s) and 8 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 Methyl 2-(2,4-dinitrophenyl)sulfonylacetate?
The CAS number of Methyl 2-(2,4-dinitrophenyl)sulfonylacetate is 185299-22-3.
What is the molecular formula of Methyl 2-(2,4-dinitrophenyl)sulfonylacetate?
The molecular formula of Methyl 2-(2,4-dinitrophenyl)sulfonylacetate is C9H8N2O8S.
What is the molecular weight of Methyl 2-(2,4-dinitrophenyl)sulfonylacetate?
The molecular weight of Methyl 2-(2,4-dinitrophenyl)sulfonylacetate is 304.00 g/mol.
Where can I buy Methyl 2-(2,4-dinitrophenyl)sulfonylacetate?
You can request a quote for Methyl 2-(2,4-dinitrophenyl)sulfonylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2,4-dinitrophenyl)sulfonylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,4-dinitrophenyl)sulfonylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.