2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate
TL;DR: 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate (CAS 296876-23-8) 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.
2-(1-oxo-4-phenylphthalazin-2-yl)ethyl acetate
Also Known As: ChemDiv2_005178, IDI1_003893, 2-(1-oxo-4-phenylphthalazin-2-yl)ethyl acetate, 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate, 2-(1-oxo-4-phenyl-2-hydrophthalazin-2-yl)ethyl acetate
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 296876-23-8 |
|---|---|
| SMILES | CC(=O)OCCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3 |
| InChIKey | KIVHWJUNMMTVHG-UHFFFAOYSA-N |
Product Overview
2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate (CAS 296876-23-8), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: 2-(1-oxo-4-phenylphthalazin-2-yl)ethyl acetate.
Chemical Property Profile of 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate
Property Insights of 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate. With a topological polar surface area (TPSA) of 59.0 Ų, 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate 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 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate?
The CAS number of 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate is 296876-23-8.
What is the molecular formula of 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate?
The molecular formula of 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate is C18H16N2O3.
What is the molecular weight of 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate?
The molecular weight of 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate is 308.12 g/mol.
Where can I buy 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate?
You can request a quote for 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.