![[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone structure](/static/products/7745/774551-35-8.webp)
[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone
TL;DR: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone (CAS 774551-35-8) is a chemical compound with molecular formula C20H20N6O3S and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone
Also Known As: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone|(4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)(phenyl)methanone|[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone
| Molecular Formula | C20H20N6O3S |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 2.8369 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.13177 |
| Heavy Atoms | 30 |
| Complexity | 1063.4136 |
Chemical Identifiers
| CAS Number | 774551-35-8 |
|---|---|
| SMILES | CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone (CAS 774551-35-8), with molecular formula C20H20N6O3S and molecular weight 424.13 g/mol. IUPAC: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone.
Chemical Property Profile of [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone
Property Insights of [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone
The XLogP value of 2.8369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone. Following Lipinski's Rule of Five, [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone has 0 hydrogen bond donor(s) and 7 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-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone?
The CAS number of [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone is 774551-35-8.
What is the molecular formula of [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone?
The molecular formula of [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone is C20H20N6O3S.
What is the molecular weight of [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone?
The molecular weight of [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone is 424.13 g/mol.
Where can I buy [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone?
You can request a quote for [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.