![4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one structure](/static/products/799/799258-45-0.png)
4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one
TL;DR: 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one (CAS 799258-45-0) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-2H-phthalazin-1-one
Also Known As: BAS 06635488, AB01278610-01, 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one, 4-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-2H-phthalazin-1-one, 4-(4-methyl-3-((4-methylpiperidin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.31912 |
| Topological Polar Surface Area | 83.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 1192.9866 |
Chemical Identifiers
| CAS Number | 799258-45-0 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=CC=CC=C43)C |
Product Overview
4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one (CAS 799258-45-0), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: 4-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one
Property Insights of 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one
The XLogP value of 3.31912 indicates that 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one has 1 hydrogen bond donor(s) and 4 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-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one?
The CAS number of 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one is 799258-45-0.
What is the molecular formula of 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one?
The molecular formula of 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one is C21H23N3O3S.
What is the molecular weight of 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one?
The molecular weight of 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one is 397.15 g/mol.
Where can I buy 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one?
You can request a quote for 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]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 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.