1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate
TL;DR: 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate (CAS 85508-23-2) 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.
(1-hydroxy-2,2-dimethylhexan-3-yl) butanoate
Also Known As: 1- butylbutyrate, EINECS 287-448-2, 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate, (1-hydroxy-2,2-dimethylhexan-3-yl) butanoate, 1-HYDROXY-2,2-DIMETHYLHEXAN-3-YL BUTANOATE
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 2.5169 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 187.30626 |
Chemical Identifiers
| CAS Number | 85508-23-2 |
|---|---|
| SMILES | CCCC(C(C)(C)CO)OC(=O)CCC |
Product Overview
1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate (CAS 85508-23-2), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: (1-hydroxy-2,2-dimethylhexan-3-yl) butanoate.
Chemical Property Profile of 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate
Property Insights of 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate
The XLogP value of 2.5169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate. With a topological polar surface area (TPSA) of 46.53 Ų, 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate 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 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate?
The CAS number of 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate is 85508-23-2.
What is the molecular formula of 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate?
The molecular formula of 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate is C12H24O3.
What is the molecular weight of 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate?
The molecular weight of 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate is 216.17 g/mol.
Where can I buy 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate?
You can request a quote for 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.