beta-(Benzothiazol-2-yl)-4-nitrostyrene
TL;DR: beta-(Benzothiazol-2-yl)-4-nitrostyrene (CAS 86912-93-8) 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.
2-[2-(4-nitrophenyl)ethenyl]-1,3-benzothiazole
Also Known As: beta-(benzothiazol-2-yl)-4-nitrostyrene, 2-[2-(4-nitrophenyl)ethenyl]-1,3-benzothiazole, 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzothiazole
| Molecular Formula | C15H10N2O2S |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0463 |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 86912-93-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C=CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | CDPSBZCZTHXDSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-(Benzothiazol-2-yl)-4-nitrostyrene (CAS 86912-93-8), with molecular formula C15H10N2O2S and molecular weight 282.05 g/mol. IUPAC: 2-[2-(4-nitrophenyl)ethenyl]-1,3-benzothiazole.
Chemical Property Profile of beta-(Benzothiazol-2-yl)-4-nitrostyrene
Property Insights of beta-(Benzothiazol-2-yl)-4-nitrostyrene
The XLogP value of 4.5 indicates that beta-(Benzothiazol-2-yl)-4-nitrostyrene 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 beta-(Benzothiazol-2-yl)-4-nitrostyrene. Following Lipinski's Rule of Five, beta-(Benzothiazol-2-yl)-4-nitrostyrene 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 beta-(Benzothiazol-2-yl)-4-nitrostyrene?
The CAS number of beta-(Benzothiazol-2-yl)-4-nitrostyrene is 86912-93-8.
What is the molecular formula of beta-(Benzothiazol-2-yl)-4-nitrostyrene?
The molecular formula of beta-(Benzothiazol-2-yl)-4-nitrostyrene is C15H10N2O2S.
What is the molecular weight of beta-(Benzothiazol-2-yl)-4-nitrostyrene?
The molecular weight of beta-(Benzothiazol-2-yl)-4-nitrostyrene is 282.05 g/mol.
Where can I buy beta-(Benzothiazol-2-yl)-4-nitrostyrene?
You can request a quote for beta-(Benzothiazol-2-yl)-4-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(Benzothiazol-2-yl)-4-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for beta-(Benzothiazol-2-yl)-4-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.