2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate
TL;DR: 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate (CAS 8045-34-9) is a chemical compound with molecular formula C23H48O6 and molecular weight 420.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)propane-1,3-diol;octadecanoic acid
Also Known As: Pentaerythritol stearate, Stearic acid, ester with pentaerythritol, 2,2-bis(hydroxymethyl)propane-1,3-diol; octadecanoic acid, 2,2-bis(hydroxymethyl)propane-1,3-diol,octadecanoic acid, 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate
| Molecular Formula | C23H48O6 |
|---|---|
| Molecular Weight | 420.35 g/mol |
| LogP | 4.27 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 420.3451 |
| Heavy Atoms | 29 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 8045-34-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O.C(C(CO)(CO)CO)O |
| InChIKey | WSEFPKKOUNRCAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate (CAS 8045-34-9), with molecular formula C23H48O6 and molecular weight 420.35 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;octadecanoic acid.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate
Property Insights of 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate
The XLogP value of 4.27 indicates that 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate. Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate has 5 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 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate?
The CAS number of 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate is 8045-34-9.
What is the molecular formula of 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate?
The molecular formula of 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate is C23H48O6.
What is the molecular weight of 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate?
The molecular weight of 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate is 420.35 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate?
You can request a quote for 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate 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)-1,3-propanediol octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)-1,3-propanediol octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.