![[2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate structure](/static/products/6944/694467-05-5.webp)
[2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate
TL;DR: [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate (CAS 694467-05-5) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate
Also Known As: ChemDiv2_004400, IDI1_003115, BAS 06574723, VU0048168-1, [2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 694467-05-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)COC(=O)C |
| InChIKey | GZFYBBJJVRGRFR-UHFFFAOYSA-N |
Product Overview
[2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate (CAS 694467-05-5), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: [2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate.
Chemical Property Profile of [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate
Property Insights of [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate. With a topological polar surface area (TPSA) of 59.0 Ų, [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl 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-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate?
The CAS number of [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate is 694467-05-5.
What is the molecular formula of [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate?
The molecular formula of [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate is C19H18N2O3.
What is the molecular weight of [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate?
The molecular weight of [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate is 322.13 g/mol.
Where can I buy [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate?
You can request a quote for [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.