丙酸环己酯
TL;DR: 丙酸环己酯 (CAS 6222-35-1) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酸环己酯
cyclohexyl propanoate
Also Known As: CYCLOHEXYL PROPIONATE, Cyclohexyl propanoate, cyclohexylpropionate, Propionic acid cyclohexyl ester, Propanoic acid, cyclohexyl ester
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
| Density | 0.969-0.974 |
| Solubility | insoluble in water |
| Refractive Index | 1.439-1.446 |
Chemical Identifiers
| CAS Number | 6222-35-1 |
|---|---|
| SMILES | CCC(=O)OC1CCCCC1 |
| InChIKey | MAMMVUWCKMOLSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酸环己酯 (CAS 6222-35-1), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: cyclohexyl propanoate.
Chemical Property Profile of 丙酸环己酯
Property Insights of 丙酸环己酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酸环己酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丙酸环己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酸环己酯 has 0 hydrogen bond donor(s) and 2 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 丙酸环己酯?
The CAS number of 丙酸环己酯 is 6222-35-1.
What is the molecular formula of 丙酸环己酯?
The molecular formula of 丙酸环己酯 is C9H16O2.
What is the molecular weight of 丙酸环己酯?
The molecular weight of 丙酸环己酯 is 156.12 g/mol.
Where can I buy 丙酸环己酯?
You can request a quote for 丙酸环己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酸环己酯?
Yes, KEHONG BIO provides custom synthesis services for 丙酸环己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.