3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate
TL;DR: 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate (CAS 68424-30-6) is a chemical compound with molecular formula C10H20O5 and molecular weight 220.13 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] pentanoate
Also Known As: Pentaerythritol valerate, pentaerythritol pentanoate, Fatty acids, C5-9, esters with pentaerythritol, EC 270-290-3, Carboxylic acids, C5-9, esters with pentaerythritol
| Molecular Formula | C10H20O5 |
|---|---|
| Molecular Weight | 220.13 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 220.13107 |
| Heavy Atoms | 15 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 68424-30-6 |
|---|---|
| SMILES | CCCCC(=O)OCC(CO)(CO)CO |
| InChIKey | VVSFUPBJVHRTPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate (CAS 68424-30-6), with molecular formula C10H20O5 and molecular weight 220.13 g/mol. IUPAC: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] pentanoate.
Chemical Property Profile of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate
Property Insights of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate
The XLogP value of -0.5 indicates that 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate. Following Lipinski's Rule of Five, 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate 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 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate?
The CAS number of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate is 68424-30-6.
What is the molecular formula of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate?
The molecular formula of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate is C10H20O5.
What is the molecular weight of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate?
The molecular weight of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate is 220.13 g/mol.
Where can I buy 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate?
You can request a quote for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate 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 pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.