Hexyl cyclohexanecarboxylate
TL;DR: Hexyl cyclohexanecarboxylate (CAS 27948-10-3) 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.
hexyl cyclohexanecarboxylate
Also Known As: Hexyl cyclohexanecarboxylate, hexylcyclohexanecarboxylate, Cyclohexanecarboxylic acid, hexyl ester, 1-hexyl cyclohexanecarboxylate, Hexyl cyclohexanecarboxylate #
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 4.5 |
| 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 | 27948-10-3 |
|---|---|
| SMILES | CCCCCCOC(=O)C1CCCCC1 |
| InChIKey | QNVYTFRSSXVBQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl cyclohexanecarboxylate (CAS 27948-10-3), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: hexyl cyclohexanecarboxylate.
Chemical Property Profile of Hexyl cyclohexanecarboxylate
Property Insights of Hexyl cyclohexanecarboxylate
The XLogP value of 4.5 indicates that Hexyl cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl cyclohexanecarboxylate?
The CAS number of Hexyl cyclohexanecarboxylate is 27948-10-3.
What is the molecular formula of Hexyl cyclohexanecarboxylate?
The molecular formula of Hexyl cyclohexanecarboxylate is C13H24O2.
What is the molecular weight of Hexyl cyclohexanecarboxylate?
The molecular weight of Hexyl cyclohexanecarboxylate is 212.18 g/mol.
Where can I buy Hexyl cyclohexanecarboxylate?
You can request a quote for Hexyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.