![[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate structure](/static/products/7822/78-22-8.webp)
[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate
TL;DR: [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate (CAS 78-22-8) is a chemical compound with molecular formula C23H44O6 and molecular weight 416.31 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] 12-hydroxyoctadec-9-enoate
Also Known As: 3-Hydroxy-2,2-bis(hydroxymethyl)propyl (R)-12-hydroxyoleate, 3-hydroxy-2,2-bis(hydroxymethyl)propyl-(R)-12-hydroxyoleat, 9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, (9Z,12R)-, 9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, (R-(Z))-, 9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, [R-(Z)]-
| Molecular Formula | C23H44O6 |
|---|---|
| Molecular Weight | 416.31 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 416.31378 |
| Heavy Atoms | 29 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 78-22-8 |
|---|---|
| SMILES | CCCCCCC(CC=CCCCCCCCC(=O)OCC(CO)(CO)CO)O |
| InChIKey | LWVWRVPXEAYXDT-UHFFFAOYSA-N |
Product Overview
[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate (CAS 78-22-8), with molecular formula C23H44O6 and molecular weight 416.31 g/mol. IUPAC: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate.
Chemical Property Profile of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate
Property Insights of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate
The XLogP value of 4.1 indicates that [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate. Following Lipinski's Rule of Five, [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate?
The CAS number of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate is 78-22-8.
What is the molecular formula of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate?
The molecular formula of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate is C23H44O6.
What is the molecular weight of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate?
The molecular weight of [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate is 416.31 g/mol.
Where can I buy [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate?
You can request a quote for [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-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] 12-hydroxyoctadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.