Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate
TL;DR: Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate (CAS 69226-98-8) is a chemical compound with molecular formula C23H48O7 and molecular weight 436.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decanoic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol;octanoic acid
Also Known As: Trimethylolethane octanoate decanoate, Trimethylolethane, caprylate caprate triester, 2-(Hydroxymethyl)-2-methyl-3-(octyloxy)propyl decanoate, decanoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol;octanoic acid, Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate
| Molecular Formula | C23H48O7 |
|---|---|
| Molecular Weight | 436.34 g/mol |
| LogP | 4.61 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 436.34 |
| Heavy Atoms | 30 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 69226-98-8 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(CO)(CO)CO |
| InChIKey | WDCYQKYMKZCPHM-UHFFFAOYSA-N |
Product Overview
Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate (CAS 69226-98-8), with molecular formula C23H48O7 and molecular weight 436.34 g/mol. IUPAC: decanoic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol;octanoic acid.
Chemical Property Profile of Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate
Property Insights of Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate
The XLogP value of 4.61 indicates that Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate. Following Lipinski's Rule of Five, Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate has 5 hydrogen bond donor(s) and 7 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 Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate?
The CAS number of Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate is 69226-98-8.
What is the molecular formula of Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate?
The molecular formula of Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate is C23H48O7.
What is the molecular weight of Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate?
The molecular weight of Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate is 436.34 g/mol.
Where can I buy Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate?
You can request a quote for Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.