(2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one
TL;DR: (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one (CAS 71173-08-5) is a chemical compound with molecular formula C14H22O4 and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one
Also Known As: Sch 1602, KST-1A7739, Acido m-tolil-alpha-tioisobutirrico, 2-Methyl-2-(m-tolylthio)-propionic acid, Propionic acid, 2-methyl-2-(m-tolylthio)-
| Molecular Formula | C14H22O4 |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 2.2096 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.15181 |
| Heavy Atoms | 18 |
| Complexity | 406.4904 |
Chemical Identifiers
| CAS Number | 71173-08-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)[C@@](O1)(CC(=O)C(C)(C)C)O |
Product Overview
(2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one (CAS 71173-08-5), with molecular formula C14H22O4 and molecular weight 254.15 g/mol. IUPAC: (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one.
Chemical Property Profile of (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one
Property Insights of (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one
The XLogP value of 2.2096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one. Following Lipinski's Rule of Five, (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one has 1 hydrogen bond donor(s) and 4 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 (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one?
The CAS number of (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one is 71173-08-5.
What is the molecular formula of (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one?
The molecular formula of (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one is C14H22O4.
What is the molecular weight of (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one?
The molecular weight of (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one is 254.15 g/mol.
Where can I buy (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one?
You can request a quote for (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2S)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.