(2,2-Bis(hydroxymethyl)butyl) hydrogen adipate
TL;DR: (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate (CAS 20563-11-5) is a chemical compound with molecular formula C12H22O6 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2,2-bis(hydroxymethyl)butoxy]-6-oxohexanoic acid
Also Known As: (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate, [2,2-bis butyl]hydrogenadipate, [2,2-bis(hydroxymethyl)butyl] hydrogen adipate, 6-[2,2-bis(hydroxymethyl)butoxy]-6-oxohexanoic acid, [2,2-bis-(Hydroxymethyl)butyl] hydrogen adipate
| Molecular Formula | C12H22O6 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 262.14163 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 20563-11-5 |
|---|---|
| SMILES | CCC(CO)(CO)COC(=O)CCCCC(=O)O |
| InChIKey | VQYGZOOQRFNLFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,2-Bis(hydroxymethyl)butyl) hydrogen adipate (CAS 20563-11-5), with molecular formula C12H22O6 and molecular weight 262.14 g/mol. IUPAC: 6-[2,2-bis(hydroxymethyl)butoxy]-6-oxohexanoic acid.
Chemical Property Profile of (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate
Property Insights of (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate
The XLogP value of -0.1 indicates that (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate. Following Lipinski's Rule of Five, (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate has 3 hydrogen bond donor(s) and 6 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 (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate?
The CAS number of (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate is 20563-11-5.
What is the molecular formula of (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate?
The molecular formula of (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate is C12H22O6.
What is the molecular weight of (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate?
The molecular weight of (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate is 262.14 g/mol.
Where can I buy (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate?
You can request a quote for (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate?
Yes, KEHONG BIO provides custom synthesis services for (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.