Undecyl pentanoate
TL;DR: Undecyl pentanoate (CAS 81186-23-4) is a chemical compound with molecular formula C16H32O2 and molecular weight 256.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecyl pentanoate
Also Known As: Undecyl pentanoate, Undecyl valerate, Undecyl pentanoate #, Valeric acid undecyl ester, pentanoic acid undecyl ester
| Molecular Formula | C16H32O2 |
|---|---|
| Molecular Weight | 256.24 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 256.24023 |
| Heavy Atoms | 18 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 81186-23-4 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)CCCC |
| InChIKey | MTTLTPIFXXBAIT-UHFFFAOYSA-N |
Product Overview
Undecyl pentanoate (CAS 81186-23-4), with molecular formula C16H32O2 and molecular weight 256.24 g/mol. IUPAC: undecyl pentanoate.
Chemical Property Profile of Undecyl pentanoate
Property Insights of Undecyl pentanoate
The XLogP value of 6.4 indicates that Undecyl pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Undecyl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecyl pentanoate 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 Undecyl pentanoate?
The CAS number of Undecyl pentanoate is 81186-23-4.
What is the molecular formula of Undecyl pentanoate?
The molecular formula of Undecyl pentanoate is C16H32O2.
What is the molecular weight of Undecyl pentanoate?
The molecular weight of Undecyl pentanoate is 256.24 g/mol.
Where can I buy Undecyl pentanoate?
You can request a quote for Undecyl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecyl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Undecyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.