2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester
TL;DR: 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester (CAS 133762-16-0) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(4-oxo-1,3-dihydrocinnolin-2-yl)acetate
Also Known As: Ethyl 3,4-dihydro-4-oxo-2(1H)-cinnolineacetate, 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester, ethyl 2-(4-oxo-1,3-dihydrocinnolin-2-yl)acetate, 4-Oxo-1,2,3,4-tetrahydro-2-cinnolineacetic acid ethyl ester, Ethyl (4-oxo-3,4-dihydrocinnolin-2(1H)-yl)acetate
Technical Specifications
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.10045 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.10045 Da |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
| SMILES | CCOC(=O)CN1CC(=O)C2=CC=CC=C2N1 |
| InChIKey | UTMPCPPJGIBEGK-UHFFFAOYSA-N |
Chemical Property Profile of 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester
Property Insights of 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 58.6 Ų, 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester?
The CAS number of 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester is 133762-16-0.
What is the molecular formula of 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester?
The molecular formula of 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester is C12H14N2O3.
What is the molecular weight of 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester?
The molecular weight of 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester is 234.10045 g/mol.
Where can I buy 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester?
You can request a quote for 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 2(1H)-Cinnolineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.