![methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate structure](/static/products/896/896386-82-6.png)
methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
TL;DR: methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate (CAS 896386-82-6) is a chemical compound with molecular formula C26H29FN4O5 and molecular weight 496.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
Also Known As: methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate, methyl 3-[6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate, methyl 3-(6-(4-(4-fluorophenyl)piperazin-1-yl)-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
| Molecular Formula | C26H29FN4O5 |
|---|---|
| Molecular Weight | 496.21 g/mol |
| LogP | 2.5247 |
| Topological Polar Surface Area | 104.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.2122 |
| Heavy Atoms | 36 |
| Complexity | 1357.4926 |
Chemical Identifiers
| CAS Number | 896386-82-6 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F |
Product Overview
methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate (CAS 896386-82-6), with molecular formula C26H29FN4O5 and molecular weight 496.21 g/mol. IUPAC: methyl 3-[6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate.
Chemical Property Profile of methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Property Insights of methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
The XLogP value of 2.5247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate. The TPSA of 104.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate. Following Lipinski's Rule of Five, methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate has 1 hydrogen bond donor(s) and 6 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 methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The CAS number of methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is 896386-82-6.
What is the molecular formula of methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The molecular formula of methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is C26H29FN4O5.
What is the molecular weight of methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The molecular weight of methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is 496.21 g/mol.
Where can I buy methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
You can request a quote for methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.