Heptyl valerate
TL;DR: Heptyl valerate (CAS 5451-80-9) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl pentanoate
Also Known As: Heptyl valerate, Heptyl pentanoate, Valeric acid, heptyl ester, Pentanoic acid, heptyl ester, HEPTYL-VALERATE
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 5451-80-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)CCCC |
| InChIKey | YJARPRLGQQFGOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl valerate (CAS 5451-80-9), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: heptyl pentanoate.
Chemical Property Profile of Heptyl valerate
Property Insights of Heptyl valerate
The XLogP value of 4.3 indicates that Heptyl valerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl valerate 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 Heptyl valerate?
The CAS number of Heptyl valerate is 5451-80-9.
What is the molecular formula of Heptyl valerate?
The molecular formula of Heptyl valerate is C12H24O2.
What is the molecular weight of Heptyl valerate?
The molecular weight of Heptyl valerate is 200.18 g/mol.
Where can I buy Heptyl valerate?
You can request a quote for Heptyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl valerate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.