Decyl valerate
TL;DR: Decyl valerate (CAS 5454-12-6) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl pentanoate
Also Known As: Decyl valerate, Decyl pentanoate, Decyl pentanoate #, Pentanoic acid, decyl ester, Valeric acid, decyl ester
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 5454-12-6 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CCCC |
| InChIKey | CNLMHVUZVNKYJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl valerate (CAS 5454-12-6), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: decyl pentanoate.
Chemical Property Profile of Decyl valerate
Property Insights of Decyl valerate
The XLogP value of 5.9 indicates that Decyl 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, Decyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl valerate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decyl valerate?
The CAS number of Decyl valerate is 5454-12-6.
What is the molecular formula of Decyl valerate?
The molecular formula of Decyl valerate is C15H30O2.
What is the molecular weight of Decyl valerate?
The molecular weight of Decyl valerate is 242.22 g/mol.
Where can I buy Decyl valerate?
You can request a quote for Decyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl valerate?
Yes, KEHONG BIO provides custom synthesis services for Decyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.