Allyl cyclohexanebutyrate
TL;DR: Allyl cyclohexanebutyrate (CAS 7493-65-4) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-cyclohexylbutanoate
Also Known As: ALLYL CYCLOHEXANEBUTYRATE, Allyl 4-cyclohexylbutyrate, allyl cyclohexyl butyrate, prop-2-enyl 4-cyclohexylbutanoate, Allyl hexahydrophenylbutyrate
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
| Boiling Point | 104.00 °C. @ 1.00 mm Hg |
| Density | 0.943-0.949 |
| Solubility | Insoluble in water, soluble in ethanol, essential oils and flavour chemicals |
| Refractive Index | 1.4608 (20.5°) |
Chemical Identifiers
| CAS Number | 7493-65-4 |
|---|---|
| SMILES | C=CCOC(=O)CCCC1CCCCC1 |
| InChIKey | SIIAEMSHVLJRHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl cyclohexanebutyrate (CAS 7493-65-4), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: prop-2-enyl 4-cyclohexylbutanoate.
Chemical Property Profile of Allyl cyclohexanebutyrate
Property Insights of Allyl cyclohexanebutyrate
The XLogP value of 4.3 indicates that Allyl cyclohexanebutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl cyclohexanebutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl cyclohexanebutyrate 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 Allyl cyclohexanebutyrate?
The CAS number of Allyl cyclohexanebutyrate is 7493-65-4.
What is the molecular formula of Allyl cyclohexanebutyrate?
The molecular formula of Allyl cyclohexanebutyrate is C13H22O2.
What is the molecular weight of Allyl cyclohexanebutyrate?
The molecular weight of Allyl cyclohexanebutyrate is 210.16 g/mol.
Where can I buy Allyl cyclohexanebutyrate?
You can request a quote for Allyl cyclohexanebutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl cyclohexanebutyrate?
Yes, KEHONG BIO provides custom synthesis services for Allyl cyclohexanebutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.