2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
TL;DR: 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one (CAS 684235-00-5) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
Also Known As: ChemDiv3_004769, IDI1_022679, BAS 05462973, BRD-K06259355-001-01-0, 2-methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 1.92982 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1211.8381 |
Chemical Identifiers
| CAS Number | 684235-00-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCOCC4 |
Product Overview
2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one (CAS 684235-00-5), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: 2-methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one.
Chemical Property Profile of 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
Property Insights of 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
The XLogP value of 1.92982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one. Following Lipinski's Rule of Five, 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one has 0 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 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one?
The CAS number of 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one is 684235-00-5.
What is the molecular formula of 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one?
The molecular formula of 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one is C20H21N3O4S.
What is the molecular weight of 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one?
The molecular weight of 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one is 399.13 g/mol.
Where can I buy 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one?
You can request a quote for 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.