Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester
TL;DR: Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester (CAS 396105-31-0) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxophthalazin-2-yl)methyl 2-methylprop-2-enoate
Also Known As: (1-oxophthalazin-2(1H)-yl)methyl methacrylate, (1-oxophthalazin-2-yl)methyl 2-methylprop-2-enoate, (1-Oxo-2(1H)-phthalazinyl)methyl 2-methylacrylate #, (1-oxophthalazin-2(1H)-yl)methyl 2-methylprop-2-enoate, Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 396105-31-0 |
|---|---|
| SMILES | CC(=C)C(=O)OCN1C(=O)C2=CC=CC=C2C=N1 |
| InChIKey | ZQINKTVMBMCEHW-UHFFFAOYSA-N |
Product Overview
Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester (CAS 396105-31-0), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: (1-oxophthalazin-2-yl)methyl 2-methylprop-2-enoate.
Chemical Property Profile of Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester
Property Insights of Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester 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 Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester?
The CAS number of Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester is 396105-31-0.
What is the molecular formula of Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester?
The molecular formula of Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester is C13H12N2O3.
What is the molecular weight of Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester?
The molecular weight of Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester is 244.08 g/mol.
Where can I buy Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester?
You can request a quote for Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propenoic acid, 2-methyl-, (1,2-dihydro-1-oxophthalazin-2-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.