2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate
TL;DR: 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate (CAS 53298-30-9) is a chemical compound with molecular formula C10H11NO7S and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonylethyl (4-nitrophenyl) carbonate
Also Known As: Gardneramine, 2-(Methylsulfonyl)ethyl 4-nitrophenyl carbonate, 2-(Methanesulfonyl)ethyl 4-nitrophenyl carbonate, 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate, 2-methylsulfonylethyl (4-nitrophenyl) carbonate
| Molecular Formula | C10H11NO7S |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.02563 |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 53298-30-9 |
|---|---|
| SMILES | CS(=O)(=O)CCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | RRMVRASAASKOHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate (CAS 53298-30-9), with molecular formula C10H11NO7S and molecular weight 289.03 g/mol. IUPAC: 2-methylsulfonylethyl (4-nitrophenyl) carbonate.
Chemical Property Profile of 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate
Property Insights of 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate. Following Lipinski's Rule of Five, 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate 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 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate?
The CAS number of 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate is 53298-30-9.
What is the molecular formula of 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate?
The molecular formula of 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate is C10H11NO7S.
What is the molecular weight of 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate?
The molecular weight of 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate is 289.03 g/mol.
Where can I buy 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate?
You can request a quote for 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.