methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate
TL;DR: methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate (CAS 618441-99-9) 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 3-(1-oxophthalazin-2-yl)propanoate
Also Known As: methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate, Methyl 3-(1-oxophthalazin-2-yl)propanoate, Methyl 1-oxo-2(1H)-phthalazinepropanoate, methyl 3-(1-oxo-1,2-dihydrophthalazin-2-yl)propanoate, METHYL 3-(1-OXO-2(1H)-PHTHALAZINYL)PROPANOATE
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 0.9596 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 603.9674 |
Chemical Identifiers
| CAS Number | 618441-99-9 |
|---|---|
| SMILES | COC(=O)CCN1C(=O)C2=CC=CC=C2C=N1 |
Product Overview
methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate (CAS 618441-99-9), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: methyl 3-(1-oxophthalazin-2-yl)propanoate.
Chemical Property Profile of methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate
Property Insights of methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate
The XLogP value of 0.9596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate. Following Lipinski's Rule of Five, methyl 3-(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-(1-oxophthalazin-2(1H)-yl)propanoate?
The CAS number of methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate is 618441-99-9.
What is the molecular formula of methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate?
The molecular formula of methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate is C12H12N2O3.
What is the molecular weight of methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate?
The molecular weight of methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate is 232.08 g/mol.
Where can I buy methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate?
You can request a quote for methyl 3-(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-(1-oxophthalazin-2(1H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.