Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester
TL;DR: Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester (CAS 160790-05-6) is a chemical compound with molecular formula C17H23NO6S and molecular weight 369.1246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 1-(4-nitrophenyl)sulfonylcycloheptane-1-carboxylate
Also Known As: Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester, Cycloheptanecarboxylicacid,1-[(4-nitrophenyl)sulfonyl]-,1-methylethyl ester, Propan-2-yl 1-(4-nitrobenzene-1-sulfonyl)cycloheptane-1-carboxylate, propan-2-yl 1-(4-nitrobenzenesulfonyl)cycloheptane-1-carboxylate, propan-2-yl 1-(4-nitrophenyl)sulfonylcycloheptane-1-carboxylate
Technical Specifications
| Molecular Formula | C17H23NO6S |
| Molecular Weight | 369.1246 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.1246 Da |
| Heavy Atoms | 25 |
| Complexity | 573.0 |
| SMILES | CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | RWOBYZRHHZGFHD-UHFFFAOYSA-N |
Chemical Property Profile of Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester
Property Insights of Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester
The XLogP value of 3.9 indicates that Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester 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
What is the CAS number of Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester?
The CAS number of Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester is 160790-05-6.
What is the molecular formula of Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester?
The molecular formula of Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester is C17H23NO6S.
What is the molecular weight of Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester?
The molecular weight of Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester is 369.1246 g/mol.
Where can I buy Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester?
You can request a quote for Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester?
Yes, CoreyChem provides custom synthesis services for Cycloheptanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.