Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate
TL;DR: Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate (CAS 893774-52-2) is a chemical compound with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-chlorophenyl)methyl]-4-oxophthalazine-1-carboxylate
Also Known As: AO-080/43441590, ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate, ethyl 3-[(2-chlorophenyl)methyl]-4-oxophthalazine-1-carboxylate, A4116/0175463, ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate
| Molecular Formula | C18H15ClN2O3 |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 3.2749 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.07712 |
| Heavy Atoms | 24 |
| Complexity | 965.88025 |
Chemical Identifiers
| CAS Number | 893774-52-2 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3Cl |
Product Overview
Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate (CAS 893774-52-2), with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol. IUPAC: ethyl 3-[(2-chlorophenyl)methyl]-4-oxophthalazine-1-carboxylate.
Chemical Property Profile of Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate
Property Insights of Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate
The XLogP value of 3.2749 indicates that Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate 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 Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-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 Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate?
The CAS number of Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate is 893774-52-2.
What is the molecular formula of Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate?
The molecular formula of Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate is C18H15ClN2O3.
What is the molecular weight of Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate?
The molecular weight of Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate is 342.08 g/mol.
Where can I buy Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate?
You can request a quote for Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2-chlorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.