2-Phenyl-5-nitrobenzothiazole
TL;DR: 2-Phenyl-5-nitrobenzothiazole (CAS 64448-50-6) 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.
5-nitro-2-phenyl-1,3-benzothiazole
Also Known As: 2-phenyl-5-nitrobenzothiazole, 5-nitro-2-phenylbenzothiazole, 5-nitro-2-phenyl-1,3-benzothiazole
| Molecular Formula | C13H8N2O2S |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 3.8715 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.03064 |
| Heavy Atoms | 18 |
| Complexity | 722.1943 |
Chemical Identifiers
| CAS Number | 64448-50-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
2-Phenyl-5-nitrobenzothiazole (CAS 64448-50-6), with molecular formula C13H8N2O2S and molecular weight 256.03 g/mol. IUPAC: 5-nitro-2-phenyl-1,3-benzothiazole.
Chemical Property Profile of 2-Phenyl-5-nitrobenzothiazole
Property Insights of 2-Phenyl-5-nitrobenzothiazole
The XLogP value of 3.8715 indicates that 2-Phenyl-5-nitrobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, 2-Phenyl-5-nitrobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-5-nitrobenzothiazole 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-Phenyl-5-nitrobenzothiazole?
The CAS number of 2-Phenyl-5-nitrobenzothiazole is 64448-50-6.
What is the molecular formula of 2-Phenyl-5-nitrobenzothiazole?
The molecular formula of 2-Phenyl-5-nitrobenzothiazole is C13H8N2O2S.
What is the molecular weight of 2-Phenyl-5-nitrobenzothiazole?
The molecular weight of 2-Phenyl-5-nitrobenzothiazole is 256.03 g/mol.
Where can I buy 2-Phenyl-5-nitrobenzothiazole?
You can request a quote for 2-Phenyl-5-nitrobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-5-nitrobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-5-nitrobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.