2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
TL;DR: 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile (CAS 20072-25-7) is a chemical compound with molecular formula C11H8N2S and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenyl-1,3-thiazol-4-yl)acetonitrile
Also Known As: Isoleurosine, (2-phenyl-1,3-thiazol-4-yl)acetonitrile, 4'-Deoxyvinblastine, 2-(2-phenyl-1,3-thiazol-4-yl)acetonitrile, 2-(2-Phenylthiazol-4-yl)acetonitrile
| Molecular Formula | C11H8N2S |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.04082 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 20072-25-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CS2)CC#N |
| InChIKey | KUEZREUCXWHVPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile (CAS 20072-25-7), with molecular formula C11H8N2S and molecular weight 200.04 g/mol. IUPAC: 2-(2-phenyl-1,3-thiazol-4-yl)acetonitrile.
Chemical Property Profile of 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
Property Insights of 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile has 0 hydrogen bond donor(s) and 3 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-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile?
The CAS number of 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile is 20072-25-7.
What is the molecular formula of 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile?
The molecular formula of 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile is C11H8N2S.
What is the molecular weight of 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile?
The molecular weight of 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile is 200.04 g/mol.
Where can I buy 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile?
You can request a quote for 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.