![methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate structure](/static/products/896/896384-74-0.png)
methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
TL;DR: methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate (CAS 896384-74-0) is a chemical compound with molecular formula C24H25N3O7 and molecular weight 467.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[6-(1,3-benzodioxol-5-ylmethylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
Also Known As: methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate, methyl 3-[6-(1,3-benzodioxol-5-ylmethylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate, 2,4-diketo-3-[6-keto-6-(piperonylamino)hexyl]-1H-quinazoline-7-carboxylic acid methyl ester, 3-[6-(1,3-benzodioxol-5-ylmethylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester, methyl 3-(6-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
| Molecular Formula | C24H25N3O7 |
|---|---|
| Molecular Weight | 467.17 g/mol |
| LogP | 2.0819 |
| Topological Polar Surface Area | 128.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.16925 |
| Heavy Atoms | 34 |
| Complexity | 1342.6265 |
Chemical Identifiers
| CAS Number | 896384-74-0 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate (CAS 896384-74-0), with molecular formula C24H25N3O7 and molecular weight 467.17 g/mol. IUPAC: methyl 3-[6-(1,3-benzodioxol-5-ylmethylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate.
Chemical Property Profile of methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Property Insights of methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
The XLogP value of 2.0819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate. The TPSA of 128.72 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate. Following Lipinski's Rule of Five, methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]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-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The CAS number of methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is 896384-74-0.
What is the molecular formula of methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The molecular formula of methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is C24H25N3O7.
What is the molecular weight of methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The molecular weight of methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is 467.17 g/mol.
Where can I buy methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
You can request a quote for methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]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-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]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.