![methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate structure](/static/products/688/688773-71-9.png)
methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
TL;DR: methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate (CAS 688773-71-9) is a chemical compound with molecular formula C24H35N5O5 and molecular weight 473.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[6-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
Also Known As: methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate, methyl 3-[6-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate, 3-[6-[2-(4-ethyl-1-piperazinyl)ethylamino]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester, 3-[6-[2-(4-ethylpiperazino)ethylamino]-6-keto-hexyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester, methyl 3-(6-((2-(4-ethylpiperazin-1-yl)ethyl)amino)-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
| Molecular Formula | C24H35N5O5 |
|---|---|
| Molecular Weight | 473.26 g/mol |
| LogP | 0.7905 |
| Topological Polar Surface Area | 116.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 473.26382 |
| Heavy Atoms | 34 |
| Complexity | 1101.1061 |
Chemical Identifiers
| CAS Number | 688773-71-9 |
|---|---|
| SMILES | CCN1CCN(CC1)CCNC(=O)CCCCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=O |
Product Overview
methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate (CAS 688773-71-9), with molecular formula C24H35N5O5 and molecular weight 473.26 g/mol. IUPAC: methyl 3-[6-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate.
Chemical Property Profile of methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Property Insights of methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
The XLogP value of 0.7905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate. The TPSA of 116.74 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate. Following Lipinski's Rule of Five, methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate has 2 hydrogen bond donor(s) and 7 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-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The CAS number of methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is 688773-71-9.
What is the molecular formula of methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The molecular formula of methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is C24H35N5O5.
What is the molecular weight of methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The molecular weight of methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is 473.26 g/mol.
Where can I buy methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
You can request a quote for methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-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-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(5-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.