![2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one structure](/static/products/7745/774563-82-5.webp)
2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one
TL;DR: 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one (CAS 774563-82-5) is a chemical compound with molecular formula C18H24N6O3S and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one
Also Known As: 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one, 2,2-dimethyl-1-(4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)propan-1-one
| Molecular Formula | C18H24N6O3S |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 2.5692 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.16306 |
| Heavy Atoms | 28 |
| Complexity | 883.68634 |
Chemical Identifiers
| CAS Number | 774563-82-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=CN3C |
Product Overview
2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one (CAS 774563-82-5), with molecular formula C18H24N6O3S and molecular weight 404.16 g/mol. IUPAC: 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one.
Chemical Property Profile of 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one
Property Insights of 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one
The XLogP value of 2.5692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one. Following Lipinski's Rule of Five, 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one 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 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one?
The CAS number of 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one is 774563-82-5.
What is the molecular formula of 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one?
The molecular formula of 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one is C18H24N6O3S.
What is the molecular weight of 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one?
The molecular weight of 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one is 404.16 g/mol.
Where can I buy 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one?
You can request a quote for 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-1-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.