3-Methoxy-5-phenylisothiazole-4-carbonitrile
TL;DR: 3-Methoxy-5-phenylisothiazole-4-carbonitrile (CAS 18174-82-8) is a chemical compound with molecular formula C11H8N2OS and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-5-phenyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-Methoxy-5-phenylisothiazole-4-carbonitrile, 3-methoxy-5-phenyl-1,2-thiazole-4-carbonitrile, 3-Methoxy-4-cyano-5-phenylisothiazol, 3-methoxy-4-cyano-5-phenyl-isothiazole, 3-methoxy-5-phenyl-isothiazole-4-carbonitrile
| Molecular Formula | C11H8N2OS |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.03574 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 18174-82-8 |
|---|---|
| SMILES | COC1=NSC(=C1C#N)C2=CC=CC=C2 |
| InChIKey | CPBWIWXFEUMBTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-5-phenylisothiazole-4-carbonitrile (CAS 18174-82-8), with molecular formula C11H8N2OS and molecular weight 216.04 g/mol. IUPAC: 3-methoxy-5-phenyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-Methoxy-5-phenylisothiazole-4-carbonitrile
Property Insights of 3-Methoxy-5-phenylisothiazole-4-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-5-phenylisothiazole-4-carbonitrile. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-5-phenylisothiazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Methoxy-5-phenylisothiazole-4-carbonitrile 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 3-Methoxy-5-phenylisothiazole-4-carbonitrile?
The CAS number of 3-Methoxy-5-phenylisothiazole-4-carbonitrile is 18174-82-8.
What is the molecular formula of 3-Methoxy-5-phenylisothiazole-4-carbonitrile?
The molecular formula of 3-Methoxy-5-phenylisothiazole-4-carbonitrile is C11H8N2OS.
What is the molecular weight of 3-Methoxy-5-phenylisothiazole-4-carbonitrile?
The molecular weight of 3-Methoxy-5-phenylisothiazole-4-carbonitrile is 216.04 g/mol.
Where can I buy 3-Methoxy-5-phenylisothiazole-4-carbonitrile?
You can request a quote for 3-Methoxy-5-phenylisothiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-5-phenylisothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-5-phenylisothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.