4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione
TL;DR: 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione (CAS 17115-41-2) is a chemical compound with molecular formula C6H11BrO3S and molecular weight 241.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3,4-dimethyl-1,1-dioxothiolan-3-ol
Also Known As: 4-bromo-3,4-dimethyl-1,1-dioxothiolan-3-ol, 4-bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione, 4-bromo-3,4-dimethyltetrahydrothiophene-3-ol 1,1-dioxide
| Molecular Formula | C6H11BrO3S |
|---|---|
| Molecular Weight | 241.96 g/mol |
| LogP | 0.3194 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.96123 |
| Heavy Atoms | 11 |
| Complexity | 243.55199 |
Chemical Identifiers
| CAS Number | 17115-41-2 |
|---|---|
| SMILES | CC1(CS(=O)(=O)CC1(C)Br)O |
Product Overview
4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione (CAS 17115-41-2), with molecular formula C6H11BrO3S and molecular weight 241.96 g/mol. IUPAC: 4-bromo-3,4-dimethyl-1,1-dioxothiolan-3-ol.
Chemical Property Profile of 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione
Property Insights of 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione
The XLogP value of 0.3194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione. With a topological polar surface area (TPSA) of 54.37 Ų, 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione 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 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione?
The CAS number of 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione is 17115-41-2.
What is the molecular formula of 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione?
The molecular formula of 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione is C6H11BrO3S.
What is the molecular weight of 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione?
The molecular weight of 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione is 241.96 g/mol.
Where can I buy 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione?
You can request a quote for 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-hydroxy-3,4-dimethylthiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.