![(4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone structure](/static/products/5091/509113-53-5.webp)
(4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone
TL;DR: (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone (CAS 509113-53-5) is a chemical compound with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone
Also Known As: (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone, (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazin-1-yl]methanone, (4-methylphenyl){4-[4-nitro-3-(pyridin-2-ylsulfanyl)phenyl]piperazin-1-yl}methanone
| Molecular Formula | C23H22N4O3S |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 4.41182 |
| Topological Polar Surface Area | 79.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.14127 |
| Heavy Atoms | 31 |
| Complexity | 1081.7356 |
Chemical Identifiers
| CAS Number | 509113-53-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=CC=CC=N4 |
Product Overview
(4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone (CAS 509113-53-5), with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol. IUPAC: (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone
Property Insights of (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone
The XLogP value of 4.41182 indicates that (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone. Following Lipinski's Rule of Five, (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone 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 (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone?
The CAS number of (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone is 509113-53-5.
What is the molecular formula of (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone?
The molecular formula of (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone is C23H22N4O3S.
What is the molecular weight of (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone?
The molecular weight of (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone is 434.14 g/mol.
Where can I buy (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone?
You can request a quote for (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.