Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester
TL;DR: Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester (CAS 84006-66-6) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-undecanoyloxybutan-2-yl benzoate
Also Known As: 2-(Benzoyloxy)-1-methylpropyl undecanoate, 3-undecanoyloxybutan-2-yl benzoate, 3-(Undecanoyloxy)butan-2-yl benzoate, Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester, RefChem:1100648
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 5.6944 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 512.13336 |
Chemical Identifiers
| CAS Number | 84006-66-6 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)C1=CC=CC=C1 |
Product Overview
Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester (CAS 84006-66-6), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: 3-undecanoyloxybutan-2-yl benzoate.
Chemical Property Profile of Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester
Property Insights of Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester
The XLogP value of 5.6944 indicates that Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester 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 Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester?
The CAS number of Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester is 84006-66-6.
What is the molecular formula of Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester?
The molecular formula of Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester is C22H34O4.
What is the molecular weight of Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester?
The molecular weight of Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester is 362.25 g/mol.
Where can I buy Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester?
You can request a quote for Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.