[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate
TL;DR: [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate (CAS 10332-32-8) is a chemical compound with molecular formula C23H44O5 and molecular weight 400.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate
Also Known As: Pentaerythritol, monooleate, 3-Hydroxy-2,2-bis(hydroxymethyl)propyl oleate, [3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z)-octadec-9-enoate, 9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, 9-Octadecenoic acid (9Z)-, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
| Molecular Formula | C23H44O5 |
|---|---|
| Molecular Weight | 400.32 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 400.31888 |
| Heavy Atoms | 28 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 10332-32-8 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)CO |
| InChIKey | QQVGEJLUEOSDBB-UHFFFAOYSA-N |
Product Overview
[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate (CAS 10332-32-8), with molecular formula C23H44O5 and molecular weight 400.32 g/mol. IUPAC: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate.
Chemical Property Profile of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate
Property Insights of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate
The XLogP value of 5.7 indicates that [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate. Following Lipinski's Rule of Five, [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate?
The CAS number of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate is 10332-32-8.
What is the molecular formula of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate?
The molecular formula of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate is C23H44O5.
What is the molecular weight of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate?
The molecular weight of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate is 400.32 g/mol.
Where can I buy [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate?
You can request a quote for [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.