(4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
TL;DR: (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate (CAS 742111-69-9) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
Also Known As: AB00586756-02, AB00586756-07, AB00586756-09, (4-methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate, (4-methylphenyl)methyl 3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.59892 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 927.1447 |
Chemical Identifiers
| CAS Number | 742111-69-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C |
Product Overview
(4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate (CAS 742111-69-9), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: (4-methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate.
Chemical Property Profile of (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
Property Insights of (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
The XLogP value of 2.59892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate. Following Lipinski's Rule of Five, (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate has 0 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-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
The CAS number of (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate is 742111-69-9.
What is the molecular formula of (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
The molecular formula of (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate is C18H16N2O3.
What is the molecular weight of (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
The molecular weight of (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate is 308.12 g/mol.
Where can I buy (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
You can request a quote for (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.