Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate
TL;DR: Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate (CAS 97458-95-2) is a chemical compound with molecular formula C16H11ClN2O3 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylate
Also Known As: methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate, methyl 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylate, 8C-146, methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate, methyl 3-(4-chlorophenyl)-4-oxo-phthalazine-1-carboxylate
| Molecular Formula | C16H11ClN2O3 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.8257 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.0458 |
| Heavy Atoms | 22 |
| Complexity | 916.8174 |
Chemical Identifiers
| CAS Number | 97458-95-2 |
|---|---|
| SMILES | COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl |
Product Overview
Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate (CAS 97458-95-2), with molecular formula C16H11ClN2O3 and molecular weight 314.05 g/mol. IUPAC: methyl 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylate.
Chemical Property Profile of Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate
Property Insights of Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate
The XLogP value of 2.8257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate. Following Lipinski's Rule of Five, Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate 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 Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate?
The CAS number of Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate is 97458-95-2.
What is the molecular formula of Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate?
The molecular formula of Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate is C16H11ClN2O3.
What is the molecular weight of Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate?
The molecular weight of Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate is 314.05 g/mol.
Where can I buy Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate?
You can request a quote for Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.