![4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone structure](/static/products/3053/305368-16-5.webp)
4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone
TL;DR: 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone (CAS 305368-16-5) is a chemical compound with molecular formula C12H12N6OS and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]methyl]-2H-phthalazin-1-one
Also Known As: 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone, 8D-004, 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1,2-dihydrophthalazin-1-one, 4-[[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]methyl]-2H-phthalazin-1-one, 4-(((5-(Methylsulfanyl)-1H-1,2,4-triazol-3-yl)amino)methyl)-1(2H)-phthalazinone
| Molecular Formula | C12H12N6OS |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 1.3752 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.0793 |
| Heavy Atoms | 20 |
| Complexity | 795.74194 |
Chemical Identifiers
| CAS Number | 305368-16-5 |
|---|---|
| SMILES | CSC1=NNC(=N1)NCC2=NNC(=O)C3=CC=CC=C32 |
Product Overview
4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone (CAS 305368-16-5), with molecular formula C12H12N6OS and molecular weight 288.08 g/mol. IUPAC: 4-[[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]methyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone
Property Insights of 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone
The XLogP value of 1.3752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone. Following Lipinski's Rule of Five, 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone has 3 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-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone?
The CAS number of 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone is 305368-16-5.
What is the molecular formula of 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone?
The molecular formula of 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone is C12H12N6OS.
What is the molecular weight of 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone?
The molecular weight of 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone is 288.08 g/mol.
Where can I buy 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone?
You can request a quote for 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.