Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol
TL;DR: Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol (CAS 71839-40-2) is a chemical compound with molecular formula C17H34O3 and molecular weight 286.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R)-3-hydroxy-2,2,4-trimethylpentyl] nonanoate
Also Known As: 2,2,4-Trimethyl-1,3-pentanediol nonanoate, Pelargonic acid, 2,2,4-trimethyl-1,3-pentanediol ester, Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol, [(3R)-3-hydroxy-2,2,4-trimethylpentyl] nonanoate, RefChem:854608
| Molecular Formula | C17H34O3 |
|---|---|
| Molecular Weight | 286.25 g/mol |
| LogP | 4.3233 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 286.2508 |
| Heavy Atoms | 20 |
| Complexity | 258.96072 |
Chemical Identifiers
| CAS Number | 71839-40-2 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(C)(C)[C@@H](C(C)C)O |
Product Overview
Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol (CAS 71839-40-2), with molecular formula C17H34O3 and molecular weight 286.25 g/mol. IUPAC: [(3R)-3-hydroxy-2,2,4-trimethylpentyl] nonanoate.
Chemical Property Profile of Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol
Property Insights of Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol
The XLogP value of 4.3233 indicates that Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol has 1 hydrogen bond donor(s) and 3 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 2,2,4-trimethyl-1,3-pentanediol?
The CAS number of Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol is 71839-40-2.
What is the molecular formula of Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol?
The molecular formula of Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol is C17H34O3.
What is the molecular weight of Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol?
The molecular weight of Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol is 286.25 g/mol.
Where can I buy Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol?
You can request a quote for Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol 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 2,2,4-trimethyl-1,3-pentanediol?
Yes, KEHONG BIO provides custom synthesis services for Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.