Butyl 2-hydroxy-2-methylpropanoate
TL;DR: Butyl 2-hydroxy-2-methylpropanoate (CAS 638-33-5) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-hydroxy-2-methylpropanoate
Also Known As: 2-methylbutyllactate, 2-methyl butyl lactate, butyl 2-hydroxy-2-methylpropanoate, Propanoic acid, butyl ester, butyl 2-hydroxy-2-methyl-propanoate
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 638-33-5 |
|---|---|
| SMILES | CCCCOC(=O)C(C)(C)O |
| InChIKey | KDOLGPLJUMQYBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2-hydroxy-2-methylpropanoate (CAS 638-33-5), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: butyl 2-hydroxy-2-methylpropanoate.
Chemical Property Profile of Butyl 2-hydroxy-2-methylpropanoate
Property Insights of Butyl 2-hydroxy-2-methylpropanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-hydroxy-2-methylpropanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Butyl 2-hydroxy-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-hydroxy-2-methylpropanoate 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-methylpropanoate?
The CAS number of Butyl 2-hydroxy-2-methylpropanoate is 638-33-5.
What is the molecular formula of Butyl 2-hydroxy-2-methylpropanoate?
The molecular formula of Butyl 2-hydroxy-2-methylpropanoate is C8H16O3.
What is the molecular weight of Butyl 2-hydroxy-2-methylpropanoate?
The molecular weight of Butyl 2-hydroxy-2-methylpropanoate is 160.11 g/mol.
Where can I buy Butyl 2-hydroxy-2-methylpropanoate?
You can request a quote for Butyl 2-hydroxy-2-methylpropanoate 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-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-hydroxy-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.