5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
TL;DR: 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione (CAS 22952-20-1) is a chemical compound with molecular formula C7H4N2O5S and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 1,2-Benzisothiazol-3(2H)-one, 5-nitro-, 1,1-dioxide, 5-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide, 5-nitro-1,1-dioxo-1,2-benzothiazol-3-one, 5-nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, 5-Nitrobenzo[d]isothiazol-3(2H)-one1,1-dioxide
| Molecular Formula | C7H4N2O5S |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.98409 |
| Heavy Atoms | 15 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 22952-20-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NS2(=O)=O |
| InChIKey | KABUZPWVPGUDIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione (CAS 22952-20-1), with molecular formula C7H4N2O5S and molecular weight 227.98 g/mol. IUPAC: 5-nitro-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
Property Insights of 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione. Following Lipinski's Rule of Five, 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione 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 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The CAS number of 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is 22952-20-1.
What is the molecular formula of 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The molecular formula of 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is C7H4N2O5S.
What is the molecular weight of 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The molecular weight of 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is 227.98 g/mol.
Where can I buy 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
You can request a quote for 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.