2-(3,5-Dinitrophenyl)benzothiazole
TL;DR: 2-(3,5-Dinitrophenyl)benzothiazole (CAS 7466-31-1) is a chemical compound with molecular formula C13H7N3O4S and molecular weight 301.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dinitrophenyl)-1,3-benzothiazole
Also Known As: 2-(3,5-Dinitrophenyl)benzothiazole, 2-(3,5-Dinitrophenyl)-1,3-benzothiazole, Benzothiazole, 2-(3,5-dinitrophenyl)-, 2-(3,5-Dinitrophenyl)-1,3-benzothiazole #, RefChem:251314
| Molecular Formula | C13H7N3O4S |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.01572 |
| Heavy Atoms | 21 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 7466-31-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CIIAWHHPQYIDSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,5-Dinitrophenyl)benzothiazole (CAS 7466-31-1), with molecular formula C13H7N3O4S and molecular weight 301.02 g/mol. IUPAC: 2-(3,5-dinitrophenyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(3,5-Dinitrophenyl)benzothiazole
Property Insights of 2-(3,5-Dinitrophenyl)benzothiazole
The XLogP value of 3.9 indicates that 2-(3,5-Dinitrophenyl)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-Dinitrophenyl)benzothiazole. Following Lipinski's Rule of Five, 2-(3,5-Dinitrophenyl)benzothiazole has 0 hydrogen bond donor(s) and 6 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-(3,5-Dinitrophenyl)benzothiazole?
The CAS number of 2-(3,5-Dinitrophenyl)benzothiazole is 7466-31-1.
What is the molecular formula of 2-(3,5-Dinitrophenyl)benzothiazole?
The molecular formula of 2-(3,5-Dinitrophenyl)benzothiazole is C13H7N3O4S.
What is the molecular weight of 2-(3,5-Dinitrophenyl)benzothiazole?
The molecular weight of 2-(3,5-Dinitrophenyl)benzothiazole is 301.02 g/mol.
Where can I buy 2-(3,5-Dinitrophenyl)benzothiazole?
You can request a quote for 2-(3,5-Dinitrophenyl)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dinitrophenyl)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dinitrophenyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.