![3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine structure](/static/products/7082/708223-56-7.webp)
3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
TL;DR: 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine (CAS 708223-56-7) is a chemical compound with molecular formula C22H24N6O3S and molecular weight 452.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine, 3-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine, 3-(2-methoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C22H24N6O3S |
|---|---|
| Molecular Weight | 452.16 g/mol |
| LogP | 2.19762 |
| Topological Polar Surface Area | 92.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.16306 |
| Heavy Atoms | 32 |
| Complexity | 1424.6569 |
Chemical Identifiers
| CAS Number | 708223-56-7 |
|---|---|
| SMILES | CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OC)C5=CC=CC=C15 |
Product Overview
3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine (CAS 708223-56-7), with molecular formula C22H24N6O3S and molecular weight 452.16 g/mol. IUPAC: 3-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
Property Insights of 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
The XLogP value of 2.19762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine. The TPSA of 92.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine. Following Lipinski's Rule of Five, 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine 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 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine?
The CAS number of 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine is 708223-56-7.
What is the molecular formula of 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine?
The molecular formula of 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine is C22H24N6O3S.
What is the molecular weight of 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine?
The molecular weight of 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine is 452.16 g/mol.
Where can I buy 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine?
You can request a quote for 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.