ethyl 4-cyano-4H-quinazoline-3-carboxylate
TL;DR: ethyl 4-cyano-4H-quinazoline-3-carboxylate (CAS 92736-74-8) is a chemical compound with molecular formula C20H28N6O6 and molecular weight 448.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)amino]hexylamino]-6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 4-cyano-4H-quinazoline-3-carboxylate, 2-(3-methylbut-2-enoxy)-5-nitrobenzaldehyde, Ethyl 2-[(6-{[5-(ethoxycarbonyl)-4-hydroxypyrimidin-2-yl]amino}hexyl)amino]-4-hydroxypyrimidine-5-carboxylate, ethyl 2-[6-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)amino], ethyl 2-[6-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)amino]hexylamino]-6-oxo-1H-pyrimidine-5-carboxylate
| Molecular Formula | C20H28N6O6 |
|---|---|
| Molecular Weight | 448.21 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 448.20703 |
| Heavy Atoms | 32 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 92736-74-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(NC1=O)NCCCCCCNC2=NC=C(C(=O)N2)C(=O)OCC |
| InChIKey | SENHADHVQLIAAQ-UHFFFAOYSA-N |
Product Overview
ethyl 4-cyano-4H-quinazoline-3-carboxylate (CAS 92736-74-8), with molecular formula C20H28N6O6 and molecular weight 448.21 g/mol. IUPAC: ethyl 2-[6-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)amino]hexylamino]-6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-cyano-4H-quinazoline-3-carboxylate
Property Insights of ethyl 4-cyano-4H-quinazoline-3-carboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-cyano-4H-quinazoline-3-carboxylate. The TPSA of 160.0 Ų indicates high polarity, suggesting ethyl 4-cyano-4H-quinazoline-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-cyano-4H-quinazoline-3-carboxylate has 4 hydrogen bond donor(s) and 8 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 ethyl 4-cyano-4H-quinazoline-3-carboxylate?
The CAS number of ethyl 4-cyano-4H-quinazoline-3-carboxylate is 92736-74-8.
What is the molecular formula of ethyl 4-cyano-4H-quinazoline-3-carboxylate?
The molecular formula of ethyl 4-cyano-4H-quinazoline-3-carboxylate is C20H28N6O6.
What is the molecular weight of ethyl 4-cyano-4H-quinazoline-3-carboxylate?
The molecular weight of ethyl 4-cyano-4H-quinazoline-3-carboxylate is 448.21 g/mol.
Where can I buy ethyl 4-cyano-4H-quinazoline-3-carboxylate?
You can request a quote for ethyl 4-cyano-4H-quinazoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-cyano-4H-quinazoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-cyano-4H-quinazoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.