2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate
TL;DR: 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate (CAS 67025-99-4) is a chemical compound with molecular formula C24H46O5 and molecular weight 414.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl (Z)-12-hydroxyoctadec-9-enoate
Also Known As: EINECS 266-551-6, 2,2-Bis(hydroxymethyl)butyl (R)-12-hydroxyoleate, 2,2-bis-(Hydroxymethyl)butyl (R)-12-hydroxyoleate, 2,2-bis(hydroxymethyl)butyl (Z)-12-hydroxyoctadec-9-enoate, 266-551-6
| Molecular Formula | C24H46O5 |
|---|---|
| Molecular Weight | 414.33 g/mol |
| LogP | 4.9189 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 414.33453 |
| Heavy Atoms | 29 |
| Complexity | 395.81055 |
Chemical Identifiers
| CAS Number | 67025-99-4 |
|---|---|
| SMILES | CCCCCCC(C/C=C\CCCCCCCC(=O)OCC(CC)(CO)CO)O |
Product Overview
2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate (CAS 67025-99-4), with molecular formula C24H46O5 and molecular weight 414.33 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl (Z)-12-hydroxyoctadec-9-enoate.
Chemical Property Profile of 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate
Property Insights of 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate
The XLogP value of 4.9189 indicates that 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate. Following Lipinski's Rule of Five, 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate has 3 hydrogen bond donor(s) and 5 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 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate?
The CAS number of 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate is 67025-99-4.
What is the molecular formula of 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate?
The molecular formula of 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate is C24H46O5.
What is the molecular weight of 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate?
The molecular weight of 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate is 414.33 g/mol.
Where can I buy 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate?
You can request a quote for 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.