5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide
TL;DR: 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide (CAS 18690-43-2) is a chemical compound with molecular formula C7H4N2O7S and molecular weight 259.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dinitro-3H-1,2λ6-benzoxathiole 2,2-dioxide
Also Known As: 5,7-dinitro-3H-1,2, 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide, AL-398/12677031, 5,7-dinitro-3H-1,2lambda6-benzoxathiole 2,2-dioxide
| Molecular Formula | C7H4N2O7S |
|---|---|
| Molecular Weight | 259.97 g/mol |
| LogP | 0.7252 |
| Topological Polar Surface Area | 129.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.9739 |
| Heavy Atoms | 17 |
| Complexity | 635.86743 |
Chemical Identifiers
| CAS Number | 18690-43-2 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OS1(=O)=O |
Product Overview
5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide (CAS 18690-43-2), with molecular formula C7H4N2O7S and molecular weight 259.97 g/mol. IUPAC: 5,7-dinitro-3H-1,2λ6-benzoxathiole 2,2-dioxide.
Chemical Property Profile of 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide
Property Insights of 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide
The XLogP value of 0.7252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide. The TPSA of 129.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide. Following Lipinski's Rule of Five, 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide has 0 hydrogen bond donor(s) and 7 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-dinitro-3H-1,2-benzoxathiole 2,2-dioxide?
The CAS number of 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide is 18690-43-2.
What is the molecular formula of 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide?
The molecular formula of 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide is C7H4N2O7S.
What is the molecular weight of 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide?
The molecular weight of 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide is 259.97 g/mol.
Where can I buy 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide?
You can request a quote for 5,7-dinitro-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-dinitro-3H-1,2-benzoxathiole 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 5,7-dinitro-3H-1,2-benzoxathiole 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.