Nitrodan
TL;DR: Nitrodan (CAS 962-02-7) is a chemical compound with molecular formula C10H8N4O3S2 and molecular weight 296.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-[(4-nitrophenyl)diazenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: NITRODAN, Nidanthel, Everfree, Nitrodanum, Nitrodano
| Molecular Formula | C10H8N4O3S2 |
|---|---|
| Molecular Weight | 296.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.00378 |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 962-02-7 |
|---|---|
| SMILES | CN1C(=O)C(SC1=S)N=NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | HHLAJTWCKSBJFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitrodan (CAS 962-02-7), with molecular formula C10H8N4O3S2 and molecular weight 296.00 g/mol. IUPAC: 3-methyl-5-[(4-nitrophenyl)diazenyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of Nitrodan
Property Insights of Nitrodan
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrodan. The TPSA of 148.0 Ų indicates high polarity, suggesting Nitrodan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nitrodan 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 Nitrodan?
The CAS number of Nitrodan is 962-02-7.
What is the molecular formula of Nitrodan?
The molecular formula of Nitrodan is C10H8N4O3S2.
What is the molecular weight of Nitrodan?
The molecular weight of Nitrodan is 296.00 g/mol.
Where can I buy Nitrodan?
You can request a quote for Nitrodan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrodan?
Yes, KEHONG BIO provides custom synthesis services for Nitrodan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.