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Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate
TL;DR: Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate (CAS 7061-58-7) is a chemical compound with molecular formula C16H12N2O9S and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate
Also Known As: Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate, Methyl 4-{[(2,4-dinitrobenzene-1-sulfinyl)acetyl]oxy}benzoate
| Molecular Formula | C16H12N2O9S |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 2.0028 |
| Topological Polar Surface Area | 155.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.02634 |
| Heavy Atoms | 28 |
| Complexity | 972.58026 |
Chemical Identifiers
| CAS Number | 7061-58-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC(=O)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate (CAS 7061-58-7), with molecular formula C16H12N2O9S and molecular weight 408.03 g/mol. IUPAC: methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate.
Chemical Property Profile of Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate
Property Insights of Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate
The XLogP value of 2.0028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate. The TPSA of 155.95 Ų indicates high polarity, suggesting Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate has 0 hydrogen bond donor(s) and 9 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 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate?
The CAS number of Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate is 7061-58-7.
What is the molecular formula of Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate?
The molecular formula of Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate is C16H12N2O9S.
What is the molecular weight of Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate?
The molecular weight of Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate is 408.03 g/mol.
Where can I buy Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate?
You can request a quote for Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(2,4-dinitrophenyl)sulfinylacetyl]oxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.