Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate
TL;DR: Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate (CAS 13945-57-8) is a chemical compound with molecular formula C10H12N2O6S and molecular weight 288.0416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-(4-methyl-3-nitrophenyl)sulfonylcarbamate
Also Known As: Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate, ethyl N-(4-methyl-3-nitrophenyl)sulfonylcarbamate, ETHYL [(4-METHYL-3-NITROPHENYL)SULPHONYL]CARBAMATE, ethyl[(4-methyl-3-nitrophenyl)sulfonyl]carbamate, Ethyl (4-methyl-3-nitrobenzene-1-sulfonyl)carbamate
Technical Specifications
| Molecular Formula | C10H12N2O6S |
| Molecular Weight | 288.0416 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.0416 Da |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
| SMILES | CCOC(=O)NS(=O)(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-] |
| InChIKey | OLVPQVSSWREGQN-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate
Property Insights of Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate. Following Lipinski's Rule of Five, Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate?
The CAS number of Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate is 13945-57-8.
What is the molecular formula of Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate?
The molecular formula of Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate is C10H12N2O6S.
What is the molecular weight of Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate?
The molecular weight of Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate is 288.0416 g/mol.
Where can I buy Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate?
You can request a quote for Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate?
Yes, CoreyChem provides custom synthesis services for Ethyl ((4-methyl-3-nitrophenyl)sulphonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.