![4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile structure](/static/products/4762/476278-77-0.webp)
4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile
TL;DR: 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile (CAS 476278-77-0) is a chemical compound with molecular formula C17H9N3OS and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile
Also Known As: 4-{2-cyano-2-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetyl}benzonitrile
| Molecular Formula | C17H9N3OS |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 4.11786 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.04663 |
| Heavy Atoms | 22 |
| Complexity | 922.973 |
Chemical Identifiers
| CAS Number | 476278-77-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=C(C3=CC=C(C=C3)C#N)O)C#N |
Product Overview
4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile (CAS 476278-77-0), with molecular formula C17H9N3OS and molecular weight 303.05 g/mol. IUPAC: 4-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile.
Chemical Property Profile of 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile
Property Insights of 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile
The XLogP value of 4.11786 indicates that 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile. Following Lipinski's Rule of Five, 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile has 1 hydrogen bond donor(s) and 5 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 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile?
The CAS number of 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile is 476278-77-0.
What is the molecular formula of 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile?
The molecular formula of 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile is C17H9N3OS.
What is the molecular weight of 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile?
The molecular weight of 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile is 303.05 g/mol.
Where can I buy 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile?
You can request a quote for 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(1,3-Benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.