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Methyl [(2-nitrophenyl)sulfonyl]acetate
TL;DR: Methyl [(2-nitrophenyl)sulfonyl]acetate (CAS 27489-28-7) is a chemical compound with molecular formula C9H9NO6S and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-nitrophenyl)sulfonylacetate
Also Known As: methyl [(2-nitrophenyl)sulfonyl]acetate, Methyl 2-(2-nitrophenyl)sulfonylacetate, Methyl 2-(2-nitrophenylsulfonyl)acetate, (2-Nitrophenyl)sulfonyl acetic acid methyl ester, Methyl (2-nitrobenzene-1-sulfonyl)acetate
| Molecular Formula | C9H9NO6S |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 0.5415 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.01505 |
| Heavy Atoms | 17 |
| Complexity | 550.35944 |
Chemical Identifiers
| CAS Number | 27489-28-7 |
|---|---|
| SMILES | COC(=O)CS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Methyl [(2-nitrophenyl)sulfonyl]acetate (CAS 27489-28-7), with molecular formula C9H9NO6S and molecular weight 259.02 g/mol. IUPAC: methyl 2-(2-nitrophenyl)sulfonylacetate.
Chemical Property Profile of Methyl [(2-nitrophenyl)sulfonyl]acetate
Property Insights of Methyl [(2-nitrophenyl)sulfonyl]acetate
The XLogP value of 0.5415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(2-nitrophenyl)sulfonyl]acetate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(2-nitrophenyl)sulfonyl]acetate. Following Lipinski's Rule of Five, Methyl [(2-nitrophenyl)sulfonyl]acetate 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 Methyl [(2-nitrophenyl)sulfonyl]acetate?
The CAS number of Methyl [(2-nitrophenyl)sulfonyl]acetate is 27489-28-7.
What is the molecular formula of Methyl [(2-nitrophenyl)sulfonyl]acetate?
The molecular formula of Methyl [(2-nitrophenyl)sulfonyl]acetate is C9H9NO6S.
What is the molecular weight of Methyl [(2-nitrophenyl)sulfonyl]acetate?
The molecular weight of Methyl [(2-nitrophenyl)sulfonyl]acetate is 259.02 g/mol.
Where can I buy Methyl [(2-nitrophenyl)sulfonyl]acetate?
You can request a quote for Methyl [(2-nitrophenyl)sulfonyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(2-nitrophenyl)sulfonyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(2-nitrophenyl)sulfonyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.