(E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
TL;DR: (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide (CAS 905656-99-7) is a chemical compound with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
Also Known As: (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide, 2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide
| Molecular Formula | C23H22N4O4 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.0473 |
| Topological Polar Surface Area | 98.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.1641 |
| Heavy Atoms | 31 |
| Complexity | 1247.0614 |
Chemical Identifiers
| CAS Number | 905656-99-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=C(C(=CC=C3)OC)OC)/C#N |
Product Overview
(E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide (CAS 905656-99-7), with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol. IUPAC: (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
Property Insights of (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
The XLogP value of 3.0473 indicates that (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 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)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide?
The CAS number of (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide is 905656-99-7.
What is the molecular formula of (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide?
The molecular formula of (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide is C23H22N4O4.
What is the molecular weight of (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide?
The molecular weight of (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide is 418.16 g/mol.
Where can I buy (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide?
You can request a quote for (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.