3-(Hexanoyloxy)butan-2-yl undecanoate
TL;DR: 3-(Hexanoyloxy)butan-2-yl undecanoate (CAS 84006-25-7) is a chemical compound with molecular formula C21H40O4 and molecular weight 356.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexanoyloxybutan-2-yl undecanoate
Also Known As: 3-hexanoyloxybutan-2-ylundecanoate, 3-hexanoyloxybutan-2-yl undecanoate, 1-Methyl-2-((1-oxohexyl)oxy)propyl undecanoate, 3-(HEXANOYLOXY)BUTAN-2-YL UNDECANOATE, 1-Hexanone, 6-(3-hydroxy-2-butyloxy)-, undecanoate
| Molecular Formula | C21H40O4 |
|---|---|
| Molecular Weight | 356.29 g/mol |
| LogP | 5.9609 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 356.29266 |
| Heavy Atoms | 25 |
| Complexity | 340.78775 |
Chemical Identifiers
| CAS Number | 84006-25-7 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCCCC |
Product Overview
3-(Hexanoyloxy)butan-2-yl undecanoate (CAS 84006-25-7), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: 3-hexanoyloxybutan-2-yl undecanoate.
Chemical Property Profile of 3-(Hexanoyloxy)butan-2-yl undecanoate
Property Insights of 3-(Hexanoyloxy)butan-2-yl undecanoate
The XLogP value of 5.9609 indicates that 3-(Hexanoyloxy)butan-2-yl undecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(Hexanoyloxy)butan-2-yl undecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hexanoyloxy)butan-2-yl undecanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Hexanoyloxy)butan-2-yl undecanoate?
The CAS number of 3-(Hexanoyloxy)butan-2-yl undecanoate is 84006-25-7.
What is the molecular formula of 3-(Hexanoyloxy)butan-2-yl undecanoate?
The molecular formula of 3-(Hexanoyloxy)butan-2-yl undecanoate is C21H40O4.
What is the molecular weight of 3-(Hexanoyloxy)butan-2-yl undecanoate?
The molecular weight of 3-(Hexanoyloxy)butan-2-yl undecanoate is 356.29 g/mol.
Where can I buy 3-(Hexanoyloxy)butan-2-yl undecanoate?
You can request a quote for 3-(Hexanoyloxy)butan-2-yl undecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hexanoyloxy)butan-2-yl undecanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hexanoyloxy)butan-2-yl undecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.