2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile (CAS 63245-09-0) 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.
2-(1,3-benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile
Also Known As: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(3-oxoisoindol-1-yl
| Molecular Formula | C17H9N3OS |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.04663 |
| Heavy Atoms | 22 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 63245-09-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C#N)C3=NC4=CC=CC=C4S3)NC2=O |
| InChIKey | QKUNOVQUGFYDGC-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile (CAS 63245-09-0), with molecular formula C17H9N3OS and molecular weight 303.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile has 1 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-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile is 63245-09-0.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile is C17H9N3OS.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile is 303.05 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-2-(3-oxoisoindol-1-ylidene)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.