Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate
TL;DR: Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate (CAS 304692-53-3) is a chemical compound with molecular formula C11H11NO8S and molecular weight 317.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-methoxy-2-oxoethyl)sulfonyl-3-nitrobenzoate
Also Known As: methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate, methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl]-3-nitrobenzoate, methyl 4-(2-methoxy-2-oxoethyl)sulfonyl-3-nitrobenzoate, methyl 2-{[4-(methoxycarbonyl)-2-nitrophenyl]sulfonyl}acetate
| Molecular Formula | C11H11NO8S |
|---|---|
| Molecular Weight | 317.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.02054 |
| Heavy Atoms | 21 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 304692-53-3 |
|---|---|
| SMILES | COC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-] |
| InChIKey | WQAHKEVAVXCWDS-UHFFFAOYSA-N |
Product Overview
Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate (CAS 304692-53-3), with molecular formula C11H11NO8S and molecular weight 317.02 g/mol. IUPAC: methyl 4-(2-methoxy-2-oxoethyl)sulfonyl-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate
Property Insights of Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate. The TPSA of 141.0 Ų indicates high polarity, suggesting Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate 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 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate?
The CAS number of Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate is 304692-53-3.
What is the molecular formula of Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate?
The molecular formula of Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate is C11H11NO8S.
What is the molecular weight of Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate?
The molecular weight of Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate is 317.02 g/mol.
Where can I buy Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate?
You can request a quote for Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate 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-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-methoxy-2-oxoethylsulfonyl)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.