5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole
TL;DR: 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole (CAS 56697-94-0) is a chemical compound with molecular formula C15H10N2O2S and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(2-phenylethenyl)-1,3-benzothiazole
Also Known As: (E)-5-nitro-2-styrylbenzo[d]thiazole, 5-nitro-2-(2-phenylethenyl)-1,3-benzothiazole
| Molecular Formula | C15H10N2O2S |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 4.3749 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0463 |
| Heavy Atoms | 20 |
| Complexity | 793.99854 |
Chemical Identifiers
| CAS Number | 56697-94-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole (CAS 56697-94-0), with molecular formula C15H10N2O2S and molecular weight 282.05 g/mol. IUPAC: 5-nitro-2-(2-phenylethenyl)-1,3-benzothiazole.
Chemical Property Profile of 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole
Property Insights of 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole
The XLogP value of 4.3749 indicates that 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Nitro-2-(2-phenylethenyl)-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 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole?
The CAS number of 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole is 56697-94-0.
What is the molecular formula of 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole?
The molecular formula of 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole is C15H10N2O2S.
What is the molecular weight of 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole?
The molecular weight of 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole is 282.05 g/mol.
Where can I buy 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole?
You can request a quote for 5-Nitro-2-(2-phenylethenyl)-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 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-(2-phenylethenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.