![3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide structure](/static/products/7708/77085-33-7.webp)
3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
TL;DR: 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide (CAS 77085-33-7) is a chemical compound with molecular formula C10H5N5O5S and molecular weight 307.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R)-3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
Also Known As: 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide, 3,7-Dinitro-5lambda~4~-pyrazino[2,3-b][1,4]benzothiazin-5(10H)-one
| Molecular Formula | C10H5N5O5S |
|---|---|
| Molecular Weight | 307.00 g/mol |
| LogP | 1.5167 |
| Topological Polar Surface Area | 141.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.00113 |
| Heavy Atoms | 21 |
| Complexity | 757.9809 |
Chemical Identifiers
| CAS Number | 77085-33-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])[S@@](=O)C3=NC(=CN=C3N2)[N+](=O)[O-] |
Product Overview
3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide (CAS 77085-33-7), with molecular formula C10H5N5O5S and molecular weight 307.00 g/mol. IUPAC: (5R)-3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide.
Chemical Property Profile of 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
Property Insights of 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
The XLogP value of 1.5167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide. The TPSA of 141.16 Ų indicates high polarity, suggesting 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide has 1 hydrogen bond donor(s) and 8 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 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide?
The CAS number of 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide is 77085-33-7.
What is the molecular formula of 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide?
The molecular formula of 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide is C10H5N5O5S.
What is the molecular weight of 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide?
The molecular weight of 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide is 307.00 g/mol.
Where can I buy 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide?
You can request a quote for 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.