Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester
TL;DR: Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester (CAS 107137-80-4) is a chemical compound with molecular formula C14H28O4 and molecular weight 260.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl 2-ethylhexanoate
Also Known As: 2,2-bis(hydroxymethyl)butyl 2-ethylhexanoate, Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester, Dipyridamole Di-O-Beta-D-glucuronidennDiscontinued
| Molecular Formula | C14H28O4 |
|---|---|
| Molecular Weight | 260.20 g/mol |
| LogP | 2.127 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.19876 |
| Heavy Atoms | 18 |
| Complexity | 215.56921 |
Chemical Identifiers
| CAS Number | 107137-80-4 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCC(CC)(CO)CO |
Product Overview
Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester (CAS 107137-80-4), with molecular formula C14H28O4 and molecular weight 260.20 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl 2-ethylhexanoate.
Chemical Property Profile of Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester
Property Insights of Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester
The XLogP value of 2.127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester. Following Lipinski's Rule of Five, Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester has 2 hydrogen bond donor(s) and 4 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 Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester?
The CAS number of Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester is 107137-80-4.
What is the molecular formula of Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester?
The molecular formula of Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester is C14H28O4.
What is the molecular weight of Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester?
The molecular weight of Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester is 260.20 g/mol.
Where can I buy Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester?
You can request a quote for Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.