Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate
TL;DR: Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate (CAS 338976-00-4) is a chemical compound with molecular formula C21H13ClN2O3 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylate
Also Known As: 9C-061, phenyl 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylate, phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate, Phenyl 3-(4-chlorophenyl)-4-oxo-phthalazine-1-carboxylate, phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate
| Molecular Formula | C21H13ClN2O3 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 4.2583 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.06146 |
| Heavy Atoms | 27 |
| Complexity | 1185.6882 |
Chemical Identifiers
| CAS Number | 338976-00-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl |
Product Overview
Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate (CAS 338976-00-4), with molecular formula C21H13ClN2O3 and molecular weight 376.06 g/mol. IUPAC: phenyl 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylate.
Chemical Property Profile of Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate
Property Insights of Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate
The XLogP value of 4.2583 indicates that Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate. Following Lipinski's Rule of Five, Phenyl 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 Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate?
The CAS number of Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate is 338976-00-4.
What is the molecular formula of Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate?
The molecular formula of Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate is C21H13ClN2O3.
What is the molecular weight of Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate?
The molecular weight of Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate is 376.06 g/mol.
Where can I buy Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate?
You can request a quote for Phenyl 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 Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.