![4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione structure](/static/products/442/442648-16-0.png)
4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione
TL;DR: 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione (CAS 442648-16-0) is a chemical compound with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2H-phthalazine-1-thione
Also Known As: BAS 04375800, 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione, 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1-thiol, 4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazine-1(2H)-thione, 4-[4-Methyl-3-(4-methyl-piperazine-1-sulfonyl)-phenyl]-2H-phthalazine-1-thione
| Molecular Formula | C20H22N4O2S2 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.20391 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.1184 |
| Heavy Atoms | 28 |
| Complexity | 1196.2964 |
Chemical Identifiers
| CAS Number | 442648-16-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=S)C3=CC=CC=C32)S(=O)(=O)N4CCN(CC4)C |
Product Overview
4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione (CAS 442648-16-0), with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol. IUPAC: 4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2H-phthalazine-1-thione.
Chemical Property Profile of 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione
Property Insights of 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione
The XLogP value of 3.20391 indicates that 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione. Following Lipinski's Rule of Five, 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione has 1 hydrogen bond donor(s) and 5 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-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione?
The CAS number of 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione is 442648-16-0.
What is the molecular formula of 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione?
The molecular formula of 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione is C20H22N4O2S2.
What is the molecular weight of 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione?
The molecular weight of 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione is 414.12 g/mol.
Where can I buy 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione?
You can request a quote for 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazine-1(2H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.