![2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one structure](/static/products/673/673494-07-0.png)
2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one
TL;DR: 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one (CAS 673494-07-0) is a chemical compound with molecular formula C17H13N7O3 and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[3-nitro-4-(1,2,4-triazol-4-ylamino)phenyl]phthalazin-1-one
Also Known As: 2-methyl-4-[3-nitro-4-(1,2,4-triazol-4-ylamino)phenyl]phthalazin-1-one, 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one, 4-(4-((4H-1,2,4-triazol-4-yl)amino)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one
| Molecular Formula | C17H13N7O3 |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 1.9754 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.108 |
| Heavy Atoms | 27 |
| Complexity | 1215.1597 |
Chemical Identifiers
| CAS Number | 673494-07-0 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NN4C=NN=C4)[N+](=O)[O-] |
Product Overview
2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one (CAS 673494-07-0), with molecular formula C17H13N7O3 and molecular weight 363.11 g/mol. IUPAC: 2-methyl-4-[3-nitro-4-(1,2,4-triazol-4-ylamino)phenyl]phthalazin-1-one.
Chemical Property Profile of 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one
Property Insights of 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one
The XLogP value of 1.9754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one. The TPSA of 120.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one has 1 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-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one?
The CAS number of 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one is 673494-07-0.
What is the molecular formula of 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one?
The molecular formula of 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one is C17H13N7O3.
What is the molecular weight of 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one?
The molecular weight of 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one is 363.11 g/mol.
Where can I buy 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one?
You can request a quote for 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-[3-nitro-4-(4H-1,2,4-triazol-4-ylamino)phenyl]phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.