2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
TL;DR: 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile (CAS 478080-59-0) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Also Known As: 2-(4-acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile, 2-(4-acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylonitrile
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.7355 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 815.7313 |
Chemical Identifiers
| CAS Number | 478080-59-0 |
|---|---|
| SMILES | CC1=C(N=C(S1)C(=CC2=CC(=C(C=C2)OC)OC)C#N)C(=O)C |
Product Overview
2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile (CAS 478080-59-0), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: 2-(4-acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Property Insights of 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
The XLogP value of 3.7355 indicates that 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 6 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-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile?
The CAS number of 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile is 478080-59-0.
What is the molecular formula of 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile?
The molecular formula of 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile is C17H16N2O3S.
What is the molecular weight of 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile?
The molecular weight of 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile is 328.09 g/mol.
Where can I buy 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile?
You can request a quote for 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Acetyl-5-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.