Allyl cyclohexanecarboxylate
TL;DR: Allyl cyclohexanecarboxylate (CAS 16491-63-7) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl cyclohexanecarboxylate
Also Known As: Allyl cyclohexanecarboxylate, prop-2-enyl cyclohexanecarboxylate, Allyl cyclohexanecarboxylate #, 2-Propen-1-yl cyclohexanecarboxylate, Cyclohexanecarboxylic acid, 2-propenyl ester
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 16491-63-7 |
|---|---|
| SMILES | C=CCOC(=O)C1CCCCC1 |
| InChIKey | AIPJCMMALQPRMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl cyclohexanecarboxylate (CAS 16491-63-7), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: prop-2-enyl cyclohexanecarboxylate.
Chemical Property Profile of Allyl cyclohexanecarboxylate
Property Insights of Allyl cyclohexanecarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl cyclohexanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl cyclohexanecarboxylate 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 cyclohexanecarboxylate?
The CAS number of Allyl cyclohexanecarboxylate is 16491-63-7.
What is the molecular formula of Allyl cyclohexanecarboxylate?
The molecular formula of Allyl cyclohexanecarboxylate is C10H16O2.
What is the molecular weight of Allyl cyclohexanecarboxylate?
The molecular weight of Allyl cyclohexanecarboxylate is 168.12 g/mol.
Where can I buy Allyl cyclohexanecarboxylate?
You can request a quote for Allyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Allyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.