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2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone
TL;DR: 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone (CAS 296876-29-4) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-1-oxophthalazin-2-yl)ethyl acetate
Also Known As: ChemDiv2_005222, IDI1_003937, 2-(4-methyl-1-oxophthalazin-2(1H)-yl)ethyl acetate, 2-(4-methyl-1-oxophthalazin-2-yl)ethyl acetate, 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 296876-29-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C12)CCOC(=O)C |
| InChIKey | FYXQRWJKYUIKAI-UHFFFAOYSA-N |
Product Overview
2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone (CAS 296876-29-4), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 2-(4-methyl-1-oxophthalazin-2-yl)ethyl acetate.
Chemical Property Profile of 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone
Property Insights of 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone. With a topological polar surface area (TPSA) of 59.0 Ų, 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone 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-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone?
The CAS number of 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone is 296876-29-4.
What is the molecular formula of 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone?
The molecular formula of 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone is C13H14N2O3.
What is the molecular weight of 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone?
The molecular weight of 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone is 246.10 g/mol.
Where can I buy 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone?
You can request a quote for 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Acetyloxy)ethyl]-4-methyl-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.