3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide
TL;DR: 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide (CAS 20795-53-3) is a chemical compound with molecular formula C4H7BrO3S and molecular weight 213.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1,1-dioxothiolan-3-ol
Also Known As: 3-BROMO-4-HYDROXYSULFOLANE, 4-bromo-1,1-dioxothiolan-3-ol, 3-bromo-4-hydroxy-1, 3-bromo-4-hydroxytetrahydrothiophene 1,1-dioxide, 4-bromo-1,1-dioxo-thiolan-3-ol
| Molecular Formula | C4H7BrO3S |
|---|---|
| Molecular Weight | 213.93 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.92993 |
| Heavy Atoms | 9 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 20795-53-3 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)Br)O |
| InChIKey | JUROXLRSVVHUOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide (CAS 20795-53-3), with molecular formula C4H7BrO3S and molecular weight 213.93 g/mol. IUPAC: 4-bromo-1,1-dioxothiolan-3-ol.
Chemical Property Profile of 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide
Property Insights of 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide
The XLogP value of -0.4 indicates that 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide. Following Lipinski's Rule of Five, 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide 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 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide?
The CAS number of 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide is 20795-53-3.
What is the molecular formula of 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide?
The molecular formula of 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide is C4H7BrO3S.
What is the molecular weight of 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide?
The molecular weight of 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide is 213.93 g/mol.
Where can I buy 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide?
You can request a quote for 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-hydroxytetrahydrothiophene-1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.