Cyclopentyl heptanoate
TL;DR: Cyclopentyl heptanoate (CAS 63136-62-9) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl heptanoate
Also Known As: cyclopentyl heptanoate, Heptanoic acid,cyclopentyl ester
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 63136-62-9 |
|---|---|
| SMILES | CCCCCCC(=O)OC1CCCC1 |
| InChIKey | XQIVRADFTDIBRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopentyl heptanoate (CAS 63136-62-9), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: cyclopentyl heptanoate.
Chemical Property Profile of Cyclopentyl heptanoate
Property Insights of Cyclopentyl heptanoate
The XLogP value of 3.8 indicates that Cyclopentyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopentyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentyl heptanoate 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 Cyclopentyl heptanoate?
The CAS number of Cyclopentyl heptanoate is 63136-62-9.
What is the molecular formula of Cyclopentyl heptanoate?
The molecular formula of Cyclopentyl heptanoate is C12H22O2.
What is the molecular weight of Cyclopentyl heptanoate?
The molecular weight of Cyclopentyl heptanoate is 198.16 g/mol.
Where can I buy Cyclopentyl heptanoate?
You can request a quote for Cyclopentyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.