2-Nitrophenoxathiin-10,10-dioxide
TL;DR: 2-Nitrophenoxathiin-10,10-dioxide (CAS 105583-03-7) is a chemical compound with molecular formula C12H7NO5S and molecular weight 277.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrophenoxathiine 10,10-dioxide
Also Known As: 2-Nitrophenoxathiin-10,10-dioxide, 2-nitrophenoxathiine 10,10-dioxide, 2-nitro-phenoxathiine-10,10-dioxide, 2-nitrophenoxathiin 10,10-dioxide, Phenoxathiin, 2-nitro-,10,10-dioxide
| Molecular Formula | C12H7NO5S |
|---|---|
| Molecular Weight | 277.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.0045 |
| Heavy Atoms | 19 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 105583-03-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | DURHLDOYVCSYMF-UHFFFAOYSA-N |
Product Overview
2-Nitrophenoxathiin-10,10-dioxide (CAS 105583-03-7), with molecular formula C12H7NO5S and molecular weight 277.00 g/mol. IUPAC: 2-nitrophenoxathiine 10,10-dioxide.
Chemical Property Profile of 2-Nitrophenoxathiin-10,10-dioxide
Property Insights of 2-Nitrophenoxathiin-10,10-dioxide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenoxathiin-10,10-dioxide. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenoxathiin-10,10-dioxide. Following Lipinski's Rule of Five, 2-Nitrophenoxathiin-10,10-dioxide has 0 hydrogen bond donor(s) and 5 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 2-Nitrophenoxathiin-10,10-dioxide?
The CAS number of 2-Nitrophenoxathiin-10,10-dioxide is 105583-03-7.
What is the molecular formula of 2-Nitrophenoxathiin-10,10-dioxide?
The molecular formula of 2-Nitrophenoxathiin-10,10-dioxide is C12H7NO5S.
What is the molecular weight of 2-Nitrophenoxathiin-10,10-dioxide?
The molecular weight of 2-Nitrophenoxathiin-10,10-dioxide is 277.00 g/mol.
Where can I buy 2-Nitrophenoxathiin-10,10-dioxide?
You can request a quote for 2-Nitrophenoxathiin-10,10-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenoxathiin-10,10-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenoxathiin-10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.