![1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine structure](/static/products/3046/304645-45-2.webp)
1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine
TL;DR: 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine (CAS 304645-45-2) is a chemical compound with molecular formula C23H23N5O5S and molecular weight 481.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
Also Known As: 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine, F0755-0122, (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(3-nitro-4-(piperidin-1-yl)phenyl)methanone, [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone, 1-[4-({3,5-dimethyl-4-[(4-nitrophenyl)thio]-1H-pyrazol-1-yl}carbonyl)-2-nitrophenyl]piperidine
| Molecular Formula | C23H23N5O5S |
|---|---|
| Molecular Weight | 481.14 g/mol |
| LogP | 5.14634 |
| Topological Polar Surface Area | 124.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.142 |
| Heavy Atoms | 34 |
| Complexity | 1265.5004 |
Chemical Identifiers
| CAS Number | 304645-45-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)SC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine (CAS 304645-45-2), with molecular formula C23H23N5O5S and molecular weight 481.14 g/mol. IUPAC: [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone.
Chemical Property Profile of 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine
Property Insights of 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine
The XLogP value of 5.14634 indicates that 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine. Following Lipinski's Rule of Five, 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine?
The CAS number of 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine is 304645-45-2.
What is the molecular formula of 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine?
The molecular formula of 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine is C23H23N5O5S.
What is the molecular weight of 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine?
The molecular weight of 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine is 481.14 g/mol.
Where can I buy 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine?
You can request a quote for 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.