Undecyl butyrate
TL;DR: Undecyl butyrate (CAS 5461-02-9) 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.
undecyl butanoate
Also Known As: Undecyl butyrate, undecyl butanoate, Butanoic acid, undecyl ester, Butyric acid undecyl ester, 1-UNDECANOL, BUTYRATE
| 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 | 5461-02-9 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)CCC |
| InChIKey | DPMDQRRFSVRUMR-UHFFFAOYSA-N |
Product Overview
Undecyl butyrate (CAS 5461-02-9), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: undecyl butanoate.
Chemical Property Profile of Undecyl butyrate
Property Insights of Undecyl butyrate
The XLogP value of 5.9 indicates that Undecyl butyrate 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 butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecyl butyrate 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 butyrate?
The CAS number of Undecyl butyrate is 5461-02-9.
What is the molecular formula of Undecyl butyrate?
The molecular formula of Undecyl butyrate is C15H30O2.
What is the molecular weight of Undecyl butyrate?
The molecular weight of Undecyl butyrate is 242.22 g/mol.
Where can I buy Undecyl butyrate?
You can request a quote for Undecyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Undecyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.