2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile
TL;DR: 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile (CAS 90000-49-0) is a chemical compound with molecular formula C18H14N2S and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile
Also Known As: 2- -2,2-diphenyl-acetonitrile, KST-1A8779, (5-methyl-1,3-thiazol-4-yl)(diphenyl)acetonitrile, 4-Thiazoleacetonitrile,5-methyl-a,a-diphenyl-, 2-(5-methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile
| Molecular Formula | C18H14N2S |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.08777 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 90000-49-0 |
|---|---|
| SMILES | CC1=C(N=CS1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | YSRSDZZYKLSIJT-UHFFFAOYSA-N |
Product Overview
2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile (CAS 90000-49-0), with molecular formula C18H14N2S and molecular weight 290.09 g/mol. IUPAC: 2-(5-methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile.
Chemical Property Profile of 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile
Property Insights of 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile
The XLogP value of 4.2 indicates that 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile. Following Lipinski's Rule of Five, 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile 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-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile?
The CAS number of 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile is 90000-49-0.
What is the molecular formula of 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile?
The molecular formula of 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile is C18H14N2S.
What is the molecular weight of 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile?
The molecular weight of 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile is 290.09 g/mol.
Where can I buy 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile?
You can request a quote for 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.