Nonanoic acid, 2-hydroxy-1,3-propanediyl ester
TL;DR: Nonanoic acid, 2-hydroxy-1,3-propanediyl ester (CAS 13412-13-0) is a chemical compound with molecular formula C21H40O5 and molecular weight 372.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-3-hydroxy-2-nonanoyloxypropyl] nonanoate
Also Known As: 1,3-Dinonanoin, DIACYL GLYCEROL, Nonanoic acid, 2-hydroxy-1,3-propanediyl ester, (2s)-3-Hydroxy-2-(Nonanoyloxy)propyl Laurate, [(2S)-3-hydroxy-2-nonanoyloxypropyl] nonanoate
| Molecular Formula | C21H40O5 |
|---|---|
| Molecular Weight | 372.29 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 372.28757 |
| Heavy Atoms | 26 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 13412-13-0 |
|---|---|
| SMILES | CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC |
| InChIKey | MLYPZHZRXTUJHJ-IBGZPJMESA-N |
Product Overview
Nonanoic acid, 2-hydroxy-1,3-propanediyl ester (CAS 13412-13-0), with molecular formula C21H40O5 and molecular weight 372.29 g/mol. IUPAC: [(2S)-3-hydroxy-2-nonanoyloxypropyl] nonanoate.
Chemical Property Profile of Nonanoic acid, 2-hydroxy-1,3-propanediyl ester
Property Insights of Nonanoic acid, 2-hydroxy-1,3-propanediyl ester
The XLogP value of 6.5 indicates that Nonanoic acid, 2-hydroxy-1,3-propanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Nonanoic acid, 2-hydroxy-1,3-propanediyl ester. Following Lipinski's Rule of Five, Nonanoic acid, 2-hydroxy-1,3-propanediyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nonanoic acid, 2-hydroxy-1,3-propanediyl ester?
The CAS number of Nonanoic acid, 2-hydroxy-1,3-propanediyl ester is 13412-13-0.
What is the molecular formula of Nonanoic acid, 2-hydroxy-1,3-propanediyl ester?
The molecular formula of Nonanoic acid, 2-hydroxy-1,3-propanediyl ester is C21H40O5.
What is the molecular weight of Nonanoic acid, 2-hydroxy-1,3-propanediyl ester?
The molecular weight of Nonanoic acid, 2-hydroxy-1,3-propanediyl ester is 372.29 g/mol.
Where can I buy Nonanoic acid, 2-hydroxy-1,3-propanediyl ester?
You can request a quote for Nonanoic acid, 2-hydroxy-1,3-propanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonanoic acid, 2-hydroxy-1,3-propanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nonanoic acid, 2-hydroxy-1,3-propanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.