1-vinyl-4-nitropyrazole
TL;DR: 1-vinyl-4-nitropyrazole (CAS 117452-37-6) is a chemical compound with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)-5,7-dioxo-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile
Also Known As: 1-vinyl-4-nitropyrazole, IFLab1_006066, AB00674682-01, F1589-0179, 2-amino-4-(4-methoxyphenyl)-5,7-dioxo-6-(p-tolyl)-4,4a,5,6,7,7a-hexahydrothiopyrano[2,3-c]pyrrole-3-carbonitrile
| Molecular Formula | C22H19N3O3S |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 3.0861 |
| Topological Polar Surface Area | 96.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.11472 |
| Heavy Atoms | 29 |
| Complexity | 1054.2052 |
Chemical Identifiers
| CAS Number | 117452-37-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(C(=C(SC3C2=O)N)C#N)C4=CC=C(C=C4)OC |
Product Overview
1-vinyl-4-nitropyrazole (CAS 117452-37-6), with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol. IUPAC: 2-amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)-5,7-dioxo-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile.
Chemical Property Profile of 1-vinyl-4-nitropyrazole
Property Insights of 1-vinyl-4-nitropyrazole
The XLogP value of 3.0861 indicates that 1-vinyl-4-nitropyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-vinyl-4-nitropyrazole. Following Lipinski's Rule of Five, 1-vinyl-4-nitropyrazole has 1 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 1-vinyl-4-nitropyrazole?
The CAS number of 1-vinyl-4-nitropyrazole is 117452-37-6.
What is the molecular formula of 1-vinyl-4-nitropyrazole?
The molecular formula of 1-vinyl-4-nitropyrazole is C22H19N3O3S.
What is the molecular weight of 1-vinyl-4-nitropyrazole?
The molecular weight of 1-vinyl-4-nitropyrazole is 405.11 g/mol.
Where can I buy 1-vinyl-4-nitropyrazole?
You can request a quote for 1-vinyl-4-nitropyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-vinyl-4-nitropyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-vinyl-4-nitropyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.