Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
TL;DR: Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (CAS 11138-61-7) is a chemical compound with molecular formula C15H32O5 and molecular weight 292.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;nonanoic acid
Also Known As: Trimethylolpropane nonanoate, Pelargonic acid, trimethylolpropane ester, nonanoic acid- 2-ethyl-2-(hydroxymethyl)propane-1,3-diol(1:1), 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonanoic acid, Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
| Molecular Formula | C15H32O5 |
|---|---|
| Molecular Weight | 292.22 g/mol |
| LogP | 2.18 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 292.22498 |
| Heavy Atoms | 20 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 11138-61-7 |
|---|---|
| SMILES | CCCCCCCCC(=O)O.CCC(CO)(CO)CO |
| InChIKey | LLEFDCACDRGBKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (CAS 11138-61-7), with molecular formula C15H32O5 and molecular weight 292.22 g/mol. IUPAC: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;nonanoic acid.
Chemical Property Profile of Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
Property Insights of Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
The XLogP value of 2.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol. Following Lipinski's Rule of Five, Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol has 4 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 Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol?
The CAS number of Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol is 11138-61-7.
What is the molecular formula of Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol?
The molecular formula of Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol is C15H32O5.
What is the molecular weight of Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol?
The molecular weight of Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol is 292.22 g/mol.
Where can I buy Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol?
You can request a quote for Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.