4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one
TL;DR: 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one (CAS 694460-14-5) is a chemical compound with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-2H-phthalazin-1-one
Also Known As: 4-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-2H-phthalazin-1-one, 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one, 4-[3-[(4-benzyl-1-piperidyl)sulfonyl]-4-methyl-phenyl]-2H-phthalazin-1-one, 4-{3-[(4-benzyl-1-piperidinyl)sulfonyl]-4-methylphenyl}-1(2H)-phthalazinone, 4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-methylphenyl}phthalazin-1(2H)-one
| Molecular Formula | C27H27N3O3S |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 4.54192 |
| Topological Polar Surface Area | 83.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.1773 |
| Heavy Atoms | 34 |
| Complexity | 1488.8468 |
Chemical Identifiers
| CAS Number | 694460-14-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCC(CC4)CC5=CC=CC=C5 |
Product Overview
4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one (CAS 694460-14-5), with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol. IUPAC: 4-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one
Property Insights of 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one
The XLogP value of 4.54192 indicates that 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)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-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)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-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one?
The CAS number of 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one is 694460-14-5.
What is the molecular formula of 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one?
The molecular formula of 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one is C27H27N3O3S.
What is the molecular weight of 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one?
The molecular weight of 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one is 473.18 g/mol.
Where can I buy 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one?
You can request a quote for 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)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-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.