5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
TL;DR: 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid (CAS 28463-14-1) is a chemical compound with molecular formula C10H16O6 and molecular weight 232.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
Also Known As: Retronecic acid, 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid, Hexanedioic acid, 5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methyl-, (S-(R*,S*-(E)))-, (5E)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid, (5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
| Molecular Formula | C10H16O6 |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | -0.1485 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.09468 |
| Heavy Atoms | 16 |
| Complexity | 308.43112 |
Chemical Identifiers
| CAS Number | 28463-14-1 |
|---|---|
| SMILES | C/C=C(/CC(C)C(CO)(C(=O)O)O)\C(=O)O |
Product Overview
5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid (CAS 28463-14-1), with molecular formula C10H16O6 and molecular weight 232.09 g/mol. IUPAC: (5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid.
Chemical Property Profile of 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
Property Insights of 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
The XLogP value of -0.1485 indicates that 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid. Following Lipinski's Rule of Five, 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid has 4 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 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid?
The CAS number of 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid is 28463-14-1.
What is the molecular formula of 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid?
The molecular formula of 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid is C10H16O6.
What is the molecular weight of 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid?
The molecular weight of 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid is 232.09 g/mol.
Where can I buy 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid?
You can request a quote for 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.