Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate
TL;DR: Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate (CAS 80430-23-5) is a chemical compound with molecular formula C9H9NO7S and molecular weight 275.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylsulfonyloxy-5-nitrobenzoate
Also Known As: methyl 2-methylsulfonyloxy-5-nitrobenzoate, EINECS 279-464-3, Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate, Methyl 2-[(methanesulfonyl)oxy]-5-nitrobenzoate, Methyl 2-[(methylsulphonyl)oxy]-5-nitrobenzoate
| Molecular Formula | C9H9NO7S |
|---|---|
| Molecular Weight | 275.01 g/mol |
| LogP | 0.7198 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.00998 |
| Heavy Atoms | 18 |
| Complexity | 592.9338 |
Chemical Identifiers
| CAS Number | 80430-23-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OS(=O)(=O)C |
Product Overview
Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate (CAS 80430-23-5), with molecular formula C9H9NO7S and molecular weight 275.01 g/mol. IUPAC: methyl 2-methylsulfonyloxy-5-nitrobenzoate.
Chemical Property Profile of Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate
Property Insights of Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate
The XLogP value of 0.7198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate 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 Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate?
The CAS number of Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate is 80430-23-5.
What is the molecular formula of Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate?
The molecular formula of Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate is C9H9NO7S.
What is the molecular weight of Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate?
The molecular weight of Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate is 275.01 g/mol.
Where can I buy Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate?
You can request a quote for Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((methylsulphonyl)oxy)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.