Ethyl 4-methylsulfonyl-3-nitrobenzoate
TL;DR: Ethyl 4-methylsulfonyl-3-nitrobenzoate (CAS 879148-28-4) is a chemical compound with molecular formula C10H11NO6S and molecular weight 273.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methylsulfonyl-3-nitrobenzoate
Also Known As: ethyl 4-(methylsulfonyl)-3-nitrobenzoate
| Molecular Formula | C10H11NO6S |
|---|---|
| Molecular Weight | 273.03 g/mol |
| LogP | 1.175 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.0307 |
| Heavy Atoms | 18 |
| Complexity | 592.3855 |
Chemical Identifiers
| CAS Number | 879148-28-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
Ethyl 4-methylsulfonyl-3-nitrobenzoate (CAS 879148-28-4), with molecular formula C10H11NO6S and molecular weight 273.03 g/mol. IUPAC: ethyl 4-methylsulfonyl-3-nitrobenzoate.
Chemical Property Profile of Ethyl 4-methylsulfonyl-3-nitrobenzoate
Property Insights of Ethyl 4-methylsulfonyl-3-nitrobenzoate
The XLogP value of 1.175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methylsulfonyl-3-nitrobenzoate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methylsulfonyl-3-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 4-methylsulfonyl-3-nitrobenzoate 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 Ethyl 4-methylsulfonyl-3-nitrobenzoate?
The CAS number of Ethyl 4-methylsulfonyl-3-nitrobenzoate is 879148-28-4.
What is the molecular formula of Ethyl 4-methylsulfonyl-3-nitrobenzoate?
The molecular formula of Ethyl 4-methylsulfonyl-3-nitrobenzoate is C10H11NO6S.
What is the molecular weight of Ethyl 4-methylsulfonyl-3-nitrobenzoate?
The molecular weight of Ethyl 4-methylsulfonyl-3-nitrobenzoate is 273.03 g/mol.
Where can I buy Ethyl 4-methylsulfonyl-3-nitrobenzoate?
You can request a quote for Ethyl 4-methylsulfonyl-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methylsulfonyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methylsulfonyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.