![3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione structure](/static/products/896/896383-58-7.png)
3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
TL;DR: 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione (CAS 896383-58-7) is a chemical compound with molecular formula C26H30N4O5 and molecular weight 478.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxohexyl]-1H-quinazoline-2,4-dione
Also Known As: 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione, 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxohexyl]-1H-quinazoline-2,4-dione, 3-{6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxohexyl}quinazoline-2,4(1H,3H)-dione, 3-(6-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-6-oxohexyl)quinazoline-2,4(1H,3H)-dione
| Molecular Formula | C26H30N4O5 |
|---|---|
| Molecular Weight | 478.22 g/mol |
| LogP | 2.3233 |
| Topological Polar Surface Area | 96.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.22162 |
| Heavy Atoms | 35 |
| Complexity | 1323.3021 |
Chemical Identifiers
| CAS Number | 896383-58-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCCN4C(=O)C5=CC=CC=C5NC4=O |
Product Overview
3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione (CAS 896383-58-7), with molecular formula C26H30N4O5 and molecular weight 478.22 g/mol. IUPAC: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxohexyl]-1H-quinazoline-2,4-dione.
Chemical Property Profile of 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
Property Insights of 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
The XLogP value of 2.3233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione. The TPSA of 96.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione. Following Lipinski's Rule of Five, 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione 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 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione?
The CAS number of 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione is 896383-58-7.
What is the molecular formula of 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione?
The molecular formula of 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione is C26H30N4O5.
What is the molecular weight of 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione?
The molecular weight of 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione is 478.22 g/mol.
Where can I buy 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione?
You can request a quote for 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.