2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide
TL;DR: 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide (CAS 73676-88-7) is a chemical compound with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
Also Known As: 3-(3-nitrophenyl)-4H-1, 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide, 3-(3-nitrophenyl)-4H-1, E6,2,4-benzothiadiazine 1,1-dioxide, 3-(3-Nitrophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
| Molecular Formula | C13H9N3O4S |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 2.1558 |
| Topological Polar Surface Area | 101.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.03137 |
| Heavy Atoms | 21 |
| Complexity | 874.49005 |
Chemical Identifiers
| CAS Number | 73676-88-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=NS2(=O)=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide (CAS 73676-88-7), with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol. IUPAC: 3-(3-nitrophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
Chemical Property Profile of 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide
Property Insights of 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide
The XLogP value of 2.1558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide. The TPSA of 101.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide has 1 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 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide?
The CAS number of 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide is 73676-88-7.
What is the molecular formula of 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide?
The molecular formula of 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide is C13H9N3O4S.
What is the molecular weight of 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide?
The molecular weight of 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide is 303.03 g/mol.
Where can I buy 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide?
You can request a quote for 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,4-Benzothiadiazine, 3-(3-nitrophenyl)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.