Heptyl 1-hydroxycyclohexanecarboxylate
TL;DR: Heptyl 1-hydroxycyclohexanecarboxylate (CAS 6952-13-2) is a chemical compound with molecular formula C14H26O3 and molecular weight 242.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 1-hydroxycyclohexane-1-carboxylate
Also Known As: heptyl 1-hydroxycyclohexanecarboxylate, heptyl 1-hydroxycyclohexane-1-carboxylate
| Molecular Formula | C14H26O3 |
|---|---|
| Molecular Weight | 242.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 242.1882 |
| Heavy Atoms | 17 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 6952-13-2 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1(CCCCC1)O |
| InChIKey | LLFUKNUDNPITNF-UHFFFAOYSA-N |
Product Overview
Heptyl 1-hydroxycyclohexanecarboxylate (CAS 6952-13-2), with molecular formula C14H26O3 and molecular weight 242.19 g/mol. IUPAC: heptyl 1-hydroxycyclohexane-1-carboxylate.
Chemical Property Profile of Heptyl 1-hydroxycyclohexanecarboxylate
Property Insights of Heptyl 1-hydroxycyclohexanecarboxylate
The XLogP value of 3.9 indicates that Heptyl 1-hydroxycyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Heptyl 1-hydroxycyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 1-hydroxycyclohexanecarboxylate has 1 hydrogen bond donor(s) and 3 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 Heptyl 1-hydroxycyclohexanecarboxylate?
The CAS number of Heptyl 1-hydroxycyclohexanecarboxylate is 6952-13-2.
What is the molecular formula of Heptyl 1-hydroxycyclohexanecarboxylate?
The molecular formula of Heptyl 1-hydroxycyclohexanecarboxylate is C14H26O3.
What is the molecular weight of Heptyl 1-hydroxycyclohexanecarboxylate?
The molecular weight of Heptyl 1-hydroxycyclohexanecarboxylate is 242.19 g/mol.
Where can I buy Heptyl 1-hydroxycyclohexanecarboxylate?
You can request a quote for Heptyl 1-hydroxycyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 1-hydroxycyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 1-hydroxycyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.