庚酸环己酯
TL;DR: 庚酸环己酯 (CAS 6313-87-7) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚酸环己酯
cyclohexyl heptanoate
Also Known As: cyclohexyl heptanoate, Cyclohexyl enanthate, heptanoic acid cyclohexyl ester
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 6313-87-7 |
|---|---|
| SMILES | CCCCCCC(=O)OC1CCCCC1 |
| InChIKey | WRFAGNPJDOSOAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚酸环己酯 (CAS 6313-87-7), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: cyclohexyl heptanoate.
Chemical Property Profile of 庚酸环己酯
Property Insights of 庚酸环己酯
The XLogP value of 4.4 indicates that 庚酸环己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 庚酸环己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚酸环己酯 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 庚酸环己酯?
The CAS number of 庚酸环己酯 is 6313-87-7.
What is the molecular formula of 庚酸环己酯?
The molecular formula of 庚酸环己酯 is C13H24O2.
What is the molecular weight of 庚酸环己酯?
The molecular weight of 庚酸环己酯 is 212.18 g/mol.
Where can I buy 庚酸环己酯?
You can request a quote for 庚酸环己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚酸环己酯?
Yes, KEHONG BIO provides custom synthesis services for 庚酸环己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.