2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
TL;DR: 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide (CAS 1007188-06-8) is a chemical compound with molecular formula C25H17N5O5S and molecular weight 499.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
Also Known As: 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide, 2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enamide
| Molecular Formula | C25H17N5O5S |
|---|---|
| Molecular Weight | 499.10 g/mol |
| LogP | 4.82588 |
| Topological Polar Surface Area | 132.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.09503 |
| Heavy Atoms | 36 |
| Complexity | 1520.4126 |
Chemical Identifiers
| CAS Number | 1007188-06-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)C(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C#N |
Product Overview
2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide (CAS 1007188-06-8), with molecular formula C25H17N5O5S and molecular weight 499.10 g/mol. IUPAC: 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide.
Chemical Property Profile of 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
Property Insights of 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
The XLogP value of 4.82588 indicates that 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide. Following Lipinski's Rule of Five, 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 8 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-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The CAS number of 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is 1007188-06-8.
What is the molecular formula of 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The molecular formula of 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is C25H17N5O5S.
What is the molecular weight of 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The molecular weight of 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is 499.10 g/mol.
Where can I buy 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
You can request a quote for 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-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 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.