methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate
TL;DR: methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate (CAS 337925-55-0) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate
Also Known As: BAS 01403581, methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate, methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate, methyl 2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetate, (4-Methyl-1-oxo-1H-phthalazin-2-yl)-acetic acid methyl ester
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 337925-55-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)OC |
| InChIKey | MJLCBZCUPOOFCB-UHFFFAOYSA-N |
Product Overview
methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate (CAS 337925-55-0), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate.
Chemical Property Profile of methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate
Property Insights of methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate. With a topological polar surface area (TPSA) of 59.0 Ų, methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (4-methyl-1-oxophthalazin-2(1H)-yl)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 methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate?
The CAS number of methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate is 337925-55-0.
What is the molecular formula of methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate?
The molecular formula of methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate is C12H12N2O3.
What is the molecular weight of methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate?
The molecular weight of methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate is 232.08 g/mol.
Where can I buy methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate?
You can request a quote for methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4-methyl-1-oxophthalazin-2(1H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.