2-乙基-2-羟基丁酸
TL;DR: 2-乙基-2-羟基丁酸 (CAS 3639-21-2) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基-2-羟基丁酸
2-ethyl-2-hydroxybutanoic acid
Also Known As: 2-Ethyl-2-hydroxybutanoic acid, 2-Ethyl-2-hydroxybutyric acid, Diethoxalic acid, 2-Ethyl-2-hydroxy-butyric acid, 2-Ethyl-2-Hydroxybutyrate
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| Solubility | 26 mg/mL at 18 °C |
Chemical Identifiers
| CAS Number | 3639-21-2 |
|---|---|
| SMILES | CCC(CC)(C(=O)O)O |
| InChIKey | LXVSANCQXSSLPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基-2-羟基丁酸 (CAS 3639-21-2), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 2-ethyl-2-hydroxybutanoic acid.
Chemical Property Profile of 2-乙基-2-羟基丁酸
Property Insights of 2-乙基-2-羟基丁酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙基-2-羟基丁酸. With a topological polar surface area (TPSA) of 57.5 Ų, 2-乙基-2-羟基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基-2-羟基丁酸 has 2 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 2-乙基-2-羟基丁酸?
The CAS number of 2-乙基-2-羟基丁酸 is 3639-21-2.
What is the molecular formula of 2-乙基-2-羟基丁酸?
The molecular formula of 2-乙基-2-羟基丁酸 is C6H12O3.
What is the molecular weight of 2-乙基-2-羟基丁酸?
The molecular weight of 2-乙基-2-羟基丁酸 is 132.08 g/mol.
Where can I buy 2-乙基-2-羟基丁酸?
You can request a quote for 2-乙基-2-羟基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基-2-羟基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基-2-羟基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.