Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester
TL;DR: Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester (CAS 15080-58-7) is a chemical compound with molecular formula C16H30O8 and molecular weight 350.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] hexanedioate
Also Known As: Bis(2,2-di(hydroxymethyl)propyl) hexanedioate, bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] hexanedioate, Adipic acid bis[2,2-bis(hydroxymethyl)propyl] ester, Adipic acid, bis(2,2-bis(hydroxymethyl)propyl) ester, Hexanedioic acid, bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester
| Molecular Formula | C16H30O8 |
|---|---|
| Molecular Weight | 350.19 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 350.19406 |
| Heavy Atoms | 24 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 15080-58-7 |
|---|---|
| SMILES | CC(CO)(CO)COC(=O)CCCCC(=O)OCC(C)(CO)CO |
| InChIKey | WDEQESOPQKLMQF-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester (CAS 15080-58-7), with molecular formula C16H30O8 and molecular weight 350.19 g/mol. IUPAC: bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] hexanedioate.
Chemical Property Profile of Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester
Property Insights of Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester
The XLogP value of -0.8 indicates that Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester. Following Lipinski's Rule of Five, Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester has 4 hydrogen bond donor(s) and 8 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 Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester?
The CAS number of Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester is 15080-58-7.
What is the molecular formula of Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester?
The molecular formula of Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester is C16H30O8.
What is the molecular weight of Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester?
The molecular weight of Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester is 350.19 g/mol.
Where can I buy Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester?
You can request a quote for Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, 1,6-bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.