Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate
TL;DR: Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate (CAS 6298-44-8) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
Also Known As: butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate, butyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate, butyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxyl, 6-Quinazolinecarboxylicacid, 1,2,3,4,5,6,7,8-octahydro-2,4-dioxo-, butyl ester
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 6298-44-8 |
|---|---|
| SMILES | CCCCOC(=O)C1CCC2=C(C1)C(=O)NC(=O)N2 |
| InChIKey | PONWRLQFWZSNCB-UHFFFAOYSA-N |
Product Overview
Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate (CAS 6298-44-8), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: butyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate.
Chemical Property Profile of Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate
Property Insights of Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate. Following Lipinski's Rule of Five, Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate has 2 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 Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate?
The CAS number of Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate is 6298-44-8.
What is the molecular formula of Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate?
The molecular formula of Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate is C13H18N2O4.
What is the molecular weight of Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate?
The molecular weight of Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate is 266.13 g/mol.
Where can I buy Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate?
You can request a quote for Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2,4-dioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.