2-(3-Nitrophenyl)-1,3-benzothiazole
TL;DR: 2-(3-Nitrophenyl)-1,3-benzothiazole (CAS 22868-33-3) is a chemical compound with molecular formula C13H8N2O2S and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-1,3-benzothiazole
Also Known As: 2-(3-nitrophenyl)-1,3-benzothiazole, 2-(3-nitrophenyl)benzo[d]thiazole, 2-(3-nitrophenyl)benzothiazole, 2-(3-NITRO-PHENYL)-BENZOTHIAZOLE
| Molecular Formula | C13H8N2O2S |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.03064 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 22868-33-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | QNYLRZBOTOWMAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Nitrophenyl)-1,3-benzothiazole (CAS 22868-33-3), with molecular formula C13H8N2O2S and molecular weight 256.03 g/mol. IUPAC: 2-(3-nitrophenyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(3-Nitrophenyl)-1,3-benzothiazole
Property Insights of 2-(3-Nitrophenyl)-1,3-benzothiazole
The XLogP value of 4.1 indicates that 2-(3-Nitrophenyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 4 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-Nitrophenyl)-1,3-benzothiazole?
The CAS number of 2-(3-Nitrophenyl)-1,3-benzothiazole is 22868-33-3.
What is the molecular formula of 2-(3-Nitrophenyl)-1,3-benzothiazole?
The molecular formula of 2-(3-Nitrophenyl)-1,3-benzothiazole is C13H8N2O2S.
What is the molecular weight of 2-(3-Nitrophenyl)-1,3-benzothiazole?
The molecular weight of 2-(3-Nitrophenyl)-1,3-benzothiazole is 256.03 g/mol.
Where can I buy 2-(3-Nitrophenyl)-1,3-benzothiazole?
You can request a quote for 2-(3-Nitrophenyl)-1,3-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-Nitrophenyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.