![1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine structure](/static/products/904/904823-72-9.png)
1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine
TL;DR: 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine (CAS 904823-72-9) is a chemical compound with molecular formula C18H22N4O5S and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-(4-methyl-3-nitrophenyl)methanone
Also Known As: F2065-0319, (3,5-dimethyl-4-(piperidin-1-ylsulfonyl)-1H-pyrazol-1-yl)(4-methyl-3-nitrophenyl)methanone, (3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-(4-methyl-3-nitrophenyl)methanone, 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine
| Molecular Formula | C18H22N4O5S |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 2.57966 |
| Topological Polar Surface Area | 115.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.1311 |
| Heavy Atoms | 28 |
| Complexity | 1052.1686 |
Chemical Identifiers
| CAS Number | 904823-72-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C)[N+](=O)[O-] |
Product Overview
1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine (CAS 904823-72-9), with molecular formula C18H22N4O5S and molecular weight 406.13 g/mol. IUPAC: (3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-(4-methyl-3-nitrophenyl)methanone.
Chemical Property Profile of 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine
Property Insights of 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine
The XLogP value of 2.57966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine. The TPSA of 115.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine. Following Lipinski's Rule of Five, 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine 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 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine?
The CAS number of 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine is 904823-72-9.
What is the molecular formula of 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine?
The molecular formula of 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine is C18H22N4O5S.
What is the molecular weight of 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine?
The molecular weight of 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine is 406.13 g/mol.
Where can I buy 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine?
You can request a quote for 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.