3-Hydroxy-2,2-dimethylhexyl isobutyrate
TL;DR: 3-Hydroxy-2,2-dimethylhexyl isobutyrate (CAS 85508-22-1) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2,2-dimethylhexyl) 2-methylpropanoate
Also Known As: EINECS 287-447-7, 3-Hydroxy-2,2-dimethylhexyl isobutyrate, (3-hydroxy-2,2-dimethylhexyl) 2-methylpropanoate, 3-HYDROXY-2,2-DIMETHYLHEXYL 2-METHYLPROPANOATE, 2-Methylpropanoic acid 3-hydroxy-2,2-dimethylhexyl ester
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 2.3728 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 197.04391 |
Chemical Identifiers
| CAS Number | 85508-22-1 |
|---|---|
| SMILES | CCCC(C(C)(C)COC(=O)C(C)C)O |
Product Overview
3-Hydroxy-2,2-dimethylhexyl isobutyrate (CAS 85508-22-1), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: (3-hydroxy-2,2-dimethylhexyl) 2-methylpropanoate.
Chemical Property Profile of 3-Hydroxy-2,2-dimethylhexyl isobutyrate
Property Insights of 3-Hydroxy-2,2-dimethylhexyl isobutyrate
The XLogP value of 2.3728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2,2-dimethylhexyl isobutyrate. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Hydroxy-2,2-dimethylhexyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2,2-dimethylhexyl isobutyrate has 1 hydrogen bond donor(s) and 3 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 3-Hydroxy-2,2-dimethylhexyl isobutyrate?
The CAS number of 3-Hydroxy-2,2-dimethylhexyl isobutyrate is 85508-22-1.
What is the molecular formula of 3-Hydroxy-2,2-dimethylhexyl isobutyrate?
The molecular formula of 3-Hydroxy-2,2-dimethylhexyl isobutyrate is C12H24O3.
What is the molecular weight of 3-Hydroxy-2,2-dimethylhexyl isobutyrate?
The molecular weight of 3-Hydroxy-2,2-dimethylhexyl isobutyrate is 216.17 g/mol.
Where can I buy 3-Hydroxy-2,2-dimethylhexyl isobutyrate?
You can request a quote for 3-Hydroxy-2,2-dimethylhexyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2,2-dimethylhexyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2,2-dimethylhexyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.