Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate
TL;DR: Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate (CAS 694465-22-0) 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.
methyl 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanoate
Also Known As: ChemDiv3_005319, IDI1_023229, BAS 06574894, Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate, methyl 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanoate
| Molecular Formula | C18H15ClN2O3 |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 3.28 |
| 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 | 948.63025 |
Chemical Identifiers
| CAS Number | 694465-22-0 |
|---|---|
| SMILES | COC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl |
Product Overview
Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate (CAS 694465-22-0), with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol. IUPAC: methyl 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanoate.
Chemical Property Profile of Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate
Property Insights of Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate
The XLogP value of 3.28 indicates that Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate 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 Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate 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-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate?
The CAS number of Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate is 694465-22-0.
What is the molecular formula of Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate?
The molecular formula of Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate is C18H15ClN2O3.
What is the molecular weight of Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate?
The molecular weight of Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate is 342.08 g/mol.
Where can I buy Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate?
You can request a quote for Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate 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-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.