4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮
TL;DR: 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮 (CAS 64861-82-1) is a chemical compound with molecular formula C3H3BrO3S and molecular weight 197.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮
4-bromo-5H-oxathiole 2,2-dioxide
Also Known As: 4-bromo-5H-oxathiole 2,2-dioxide, 4-Bromo-1,2lambda~6~-oxathiole-2,2(5H)-dione
| Molecular Formula | C3H3BrO3S |
|---|---|
| Molecular Weight | 197.90 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.89864 |
| Heavy Atoms | 8 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 64861-82-1 |
|---|---|
| SMILES | C1C(=CS(=O)(=O)O1)Br |
| InChIKey | HBWQMJVSPHZGLA-UHFFFAOYSA-N |
Product Overview
4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮 (CAS 64861-82-1), with molecular formula C3H3BrO3S and molecular weight 197.90 g/mol. IUPAC: 4-bromo-5H-oxathiole 2,2-dioxide.
Chemical Property Profile of 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮
Property Insights of 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮. With a topological polar surface area (TPSA) of 51.8 Ų, 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮 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 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮?
The CAS number of 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮 is 64861-82-1.
What is the molecular formula of 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮?
The molecular formula of 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮 is C3H3BrO3S.
What is the molecular weight of 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮?
The molecular weight of 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮 is 197.90 g/mol.
Where can I buy 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮?
You can request a quote for 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮?
Yes, KEHONG BIO provides custom synthesis services for 4-溴-1,2λ⁶-氧硫杂环戊-2,2(5H)-二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.