2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid
TL;DR: 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid (CAS 68238-74-4) is a chemical compound with molecular formula C19H40O7 and molecular weight 380.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexanoic acid;3-(hydroxymethyl)pentane-1,5-diol;pentanoic acid
Also Known As: 2-ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid, Trimethylol propane, ester with 2-ethylhexanoic acid and valeric acid, Trimethylolpropane ester of 2-ethylhexanoic acid and valeric acids, 2-Ethylhexanoic acid mixed esters with trimethylolpropane and valeric acid, Hexanoic acid, 2-ethyl-, mixed esters with trimethylolpropane and valeric acid
| Molecular Formula | C19H40O7 |
|---|---|
| Molecular Weight | 380.28 g/mol |
| LogP | 2.91 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 380.2774 |
| Heavy Atoms | 26 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 68238-74-4 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O.CCCCC(=O)O.C(CO)C(CCO)CO |
| InChIKey | RELLFISELBMQHI-UHFFFAOYSA-N |
Product Overview
2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid (CAS 68238-74-4), with molecular formula C19H40O7 and molecular weight 380.28 g/mol. IUPAC: 2-ethylhexanoic acid;3-(hydroxymethyl)pentane-1,5-diol;pentanoic acid.
Chemical Property Profile of 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid
Property Insights of 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid
The XLogP value of 2.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid. Following Lipinski's Rule of Five, 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid 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 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid?
The CAS number of 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid is 68238-74-4.
What is the molecular formula of 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid?
The molecular formula of 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid is C19H40O7.
What is the molecular weight of 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid?
The molecular weight of 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid is 380.28 g/mol.
Where can I buy 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid?
You can request a quote for 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.