2,5-Dimethyl-3-thioisovalerylfuran
TL;DR: 2,5-Dimethyl-3-thioisovalerylfuran (CAS 55764-28-8) is a chemical compound with molecular formula C11H16O2S and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,5-dimethylfuran-3-yl) 3-methylbutanethioate
Also Known As: 2,5-Dimethyl-3-thioisovalerylfuran, FEMA No. 3482, S- 3-methylbutanethioate, 3-(Isovalerylthio)-2,5-dimethylfuran, 2,5-Dimethyl-3-thioisovaleryl furan
| Molecular Formula | C11H16O2S |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.0871 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
| Boiling Point | 124.00 to 125.00 °C. @ 6.00 mm Hg |
| Density | 1.025-1.034 |
| Solubility | Insoluble in water; slighty soluble in fat |
| Refractive Index | 1.492-1.508 |
Chemical Identifiers
| CAS Number | 55764-28-8 |
|---|---|
| SMILES | CC1=CC(=C(O1)C)SC(=O)CC(C)C |
| InChIKey | XFNLWIPNTYNNJX-UHFFFAOYSA-N |
Product Overview
2,5-Dimethyl-3-thioisovalerylfuran (CAS 55764-28-8), with molecular formula C11H16O2S and molecular weight 212.09 g/mol. IUPAC: S-(2,5-dimethylfuran-3-yl) 3-methylbutanethioate.
Chemical Property Profile of 2,5-Dimethyl-3-thioisovalerylfuran
Property Insights of 2,5-Dimethyl-3-thioisovalerylfuran
The XLogP value of 3.3 indicates that 2,5-Dimethyl-3-thioisovalerylfuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, 2,5-Dimethyl-3-thioisovalerylfuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-3-thioisovalerylfuran has 0 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 2,5-Dimethyl-3-thioisovalerylfuran?
The CAS number of 2,5-Dimethyl-3-thioisovalerylfuran is 55764-28-8.
What is the molecular formula of 2,5-Dimethyl-3-thioisovalerylfuran?
The molecular formula of 2,5-Dimethyl-3-thioisovalerylfuran is C11H16O2S.
What is the molecular weight of 2,5-Dimethyl-3-thioisovalerylfuran?
The molecular weight of 2,5-Dimethyl-3-thioisovalerylfuran is 212.09 g/mol.
Where can I buy 2,5-Dimethyl-3-thioisovalerylfuran?
You can request a quote for 2,5-Dimethyl-3-thioisovalerylfuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-3-thioisovalerylfuran?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-3-thioisovalerylfuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.