Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester
TL;DR: Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester (CAS 50840-27-2) is a chemical compound with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-4-oxoquinazolin-3-yl)ethyl pyridine-4-carboxylate
Also Known As: N-CBZ-LEU-GLY METHYL ESTER, ISONICOTINIC ACID, 2-(2-METHYL-4-OXO-3,4-DIHYDRO-3-QUINAZOLINYL)ETHYL ESTER, 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl pyridine-4-carboxylate, 2-(2-METHYL-4-OXO-3,4-DIHYDRO-3-QUINAZOLINYL)ETHYLISONICOTINATE, 3-(2-Hydroxyethyl)-2-methyl-4(3H)-quinazolinone 4-pyridylformate
| Molecular Formula | C17H15N3O3 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.11133 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 50840-27-2 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1CCOC(=O)C3=CC=NC=C3 |
| InChIKey | UEZISRURWKIUEA-UHFFFAOYSA-N |
Product Overview
Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester (CAS 50840-27-2), with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol. IUPAC: 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl pyridine-4-carboxylate.
Chemical Property Profile of Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester
Property Insights of Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester. Following Lipinski's Rule of Five, Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester has 0 hydrogen bond donor(s) and 5 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 Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester?
The CAS number of Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester is 50840-27-2.
What is the molecular formula of Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester?
The molecular formula of Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester is C17H15N3O3.
What is the molecular weight of Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester?
The molecular weight of Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester is 309.11 g/mol.
Where can I buy Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester?
You can request a quote for Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.