Butyl 2-hydroxy-2-methylbutyrate
TL;DR: Butyl 2-hydroxy-2-methylbutyrate (CAS 71436-85-6) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-hydroxy-2-methylbutanoate
Also Known As: Butyl 2-hydroxy-2-methylbutyrate, butyl 2-hydroxy-2-methylbutanoate, EINECS 275-444-3, butyl2-hydroxy-2-methylbutyrate, 2-Hydroxy-2-methylbutanoic acid butyl ester
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.4907 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 140.70908 |
Chemical Identifiers
| CAS Number | 71436-85-6 |
|---|---|
| SMILES | CCCCOC(=O)C(C)(CC)O |
Product Overview
Butyl 2-hydroxy-2-methylbutyrate (CAS 71436-85-6), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: butyl 2-hydroxy-2-methylbutanoate.
Chemical Property Profile of Butyl 2-hydroxy-2-methylbutyrate
Property Insights of Butyl 2-hydroxy-2-methylbutyrate
The XLogP value of 1.4907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-hydroxy-2-methylbutyrate. With a topological polar surface area (TPSA) of 46.53 Ų, Butyl 2-hydroxy-2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-hydroxy-2-methylbutyrate 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 Butyl 2-hydroxy-2-methylbutyrate?
The CAS number of Butyl 2-hydroxy-2-methylbutyrate is 71436-85-6.
What is the molecular formula of Butyl 2-hydroxy-2-methylbutyrate?
The molecular formula of Butyl 2-hydroxy-2-methylbutyrate is C9H18O3.
What is the molecular weight of Butyl 2-hydroxy-2-methylbutyrate?
The molecular weight of Butyl 2-hydroxy-2-methylbutyrate is 174.13 g/mol.
Where can I buy Butyl 2-hydroxy-2-methylbutyrate?
You can request a quote for Butyl 2-hydroxy-2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-hydroxy-2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-hydroxy-2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.