3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate
TL;DR: 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate (CAS 60550-73-4) is a chemical compound with molecular formula C13H26O5 and molecular weight 262.18 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] octanoate
Also Known As: Pentaerythrityl monocaprylate, Pentaerythritol caprylate, pentaerythritol monocaprylate, 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate, Pentaerythritol monooctanoate
| Molecular Formula | C13H26O5 |
|---|---|
| Molecular Weight | 262.18 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 262.178 |
| Heavy Atoms | 18 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 60550-73-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(CO)(CO)CO |
| InChIKey | VYZAPFCSOUVFIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate (CAS 60550-73-4), with molecular formula C13H26O5 and molecular weight 262.18 g/mol. IUPAC: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] octanoate.
Chemical Property Profile of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate
Property Insights of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate. Following Lipinski's Rule of Five, 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate 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 octanoate?
The CAS number of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate is 60550-73-4.
What is the molecular formula of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate?
The molecular formula of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate is C13H26O5.
What is the molecular weight of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate?
The molecular weight of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate is 262.18 g/mol.
Where can I buy 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate?
You can request a quote for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate 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 octanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.