Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate
TL;DR: Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate (CAS 86426-13-3) is a chemical compound with molecular formula C10H20O3 and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate
Also Known As: ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate, ethyl 3-hydroxy-3-methyl-2-(propan-2-yl)butanoate, 3-Hydroxy-3-methyl-2-isobutyl-buttersaeure-ethylester, Butanoic acid,3-hydroxy-3-methyl-2-(1-methylethyl)-, ethyl ester
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 86426-13-3 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)C(C)(C)O |
| InChIKey | UMGJRHMIOSYDCR-UHFFFAOYSA-N |
Product Overview
Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate (CAS 86426-13-3), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate.
Chemical Property Profile of Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate
Property Insights of Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate 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 Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate?
The CAS number of Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate is 86426-13-3.
What is the molecular formula of Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate?
The molecular formula of Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate is C10H20O3.
What is the molecular weight of Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate?
The molecular weight of Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate is 188.14 g/mol.
Where can I buy Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate?
You can request a quote for Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-3-methyl-2-propan-2-ylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.