(E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide
TL;DR: (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide (CAS 1002301-56-5) is a chemical compound with molecular formula C21H20N6O3 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
Also Known As: (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide, (2E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide, (E)-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
| Molecular Formula | C21H20N6O3 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 2.81992 |
| Topological Polar Surface Area | 114.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1597 |
| Heavy Atoms | 30 |
| Complexity | 1139.7838 |
Chemical Identifiers
| CAS Number | 1002301-56-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=C(C=N2)C#N)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)C |
Product Overview
(E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide (CAS 1002301-56-5), with molecular formula C21H20N6O3 and molecular weight 404.16 g/mol. IUPAC: (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide
Property Insights of (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide
The XLogP value of 2.81992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide. The TPSA of 114.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide. Following Lipinski's Rule of Five, (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide has 1 hydrogen bond donor(s) and 7 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 (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide?
The CAS number of (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide is 1002301-56-5.
What is the molecular formula of (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide?
The molecular formula of (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide is C21H20N6O3.
What is the molecular weight of (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide?
The molecular weight of (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide is 404.16 g/mol.
Where can I buy (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide?
You can request a quote for (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.