![1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯 structure](/static/products/1607/160790-05-6.webp)
1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯
TL;DR: 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯 (CAS 160790-05-6) is a chemical compound with molecular formula C17H23NO6S and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯
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
| Molecular Formula | C17H23NO6S |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.1246 |
| Heavy Atoms | 25 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 160790-05-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | RWOBYZRHHZGFHD-UHFFFAOYSA-N |
Product Overview
1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯 (CAS 160790-05-6), with molecular formula C17H23NO6S and molecular weight 369.12 g/mol. IUPAC: propan-2-yl 1-(4-nitrophenyl)sulfonylcycloheptane-1-carboxylate.
Chemical Property Profile of 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯
Property Insights of 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯
The XLogP value of 3.9 indicates that 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯 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 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯. Following Lipinski's Rule of Five, 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯 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 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯?
The CAS number of 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯 is 160790-05-6.
What is the molecular formula of 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯?
The molecular formula of 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯 is C17H23NO6S.
What is the molecular weight of 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯?
The molecular weight of 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯 is 369.12 g/mol.
Where can I buy 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯?
You can request a quote for 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-硝基苯基)磺酰基]环庚烷甲酸异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.