5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide
TL;DR: 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide (CAS 66950-25-2) is a chemical compound with molecular formula C7H4Br2O3S and molecular weight 325.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dibromo-3H-1,2λ6-benzoxathiole 2,2-dioxide
Also Known As: 5,7-dibromo-3H-1,2, 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide, AL-398/12677090, 5,7-dibromo-3H-1,2lambda6-benzoxathiole 2,2-dioxide
| Molecular Formula | C7H4Br2O3S |
|---|---|
| Molecular Weight | 325.82 g/mol |
| LogP | 2.4338 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 325.8248 |
| Heavy Atoms | 13 |
| Complexity | 466.87115 |
Chemical Identifiers
| CAS Number | 66950-25-2 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)Br)Br)OS1(=O)=O |
Product Overview
5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide (CAS 66950-25-2), with molecular formula C7H4Br2O3S and molecular weight 325.82 g/mol. IUPAC: 5,7-dibromo-3H-1,2λ6-benzoxathiole 2,2-dioxide.
Chemical Property Profile of 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide
Property Insights of 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide
The XLogP value of 2.4338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide. With a topological polar surface area (TPSA) of 43.37 Ų, 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide 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 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide?
The CAS number of 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide is 66950-25-2.
What is the molecular formula of 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide?
The molecular formula of 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide is C7H4Br2O3S.
What is the molecular weight of 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide?
The molecular weight of 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide is 325.82 g/mol.
Where can I buy 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide?
You can request a quote for 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 5,7-dibromo-3H-1,2-benzoxathiole 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.