![2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one structure](/static/products/7752/775289-68-4.webp)
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one
TL;DR: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one (CAS 775289-68-4) is a chemical compound with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
Also Known As: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one, 2-[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]-4-methyl-7-(2-thieny l)-6,7,8-trihydroquinazolin-5-one, 2-{4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}-4-METHYL-7-(THIOPHEN-2-YL)-5,6,7,8-TETRAHYDROQUINAZOLIN-5-ONE
| Molecular Formula | C25H26N4O3S |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 3.81012 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.17258 |
| Heavy Atoms | 33 |
| Complexity | 1188.6128 |
Chemical Identifiers
| CAS Number | 775289-68-4 |
|---|---|
| SMILES | CC1=C2C(=NC(=N1)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)CC(CC2=O)C6=CC=CS6 |
Product Overview
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one (CAS 775289-68-4), with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.
Chemical Property Profile of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one
Property Insights of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one
The XLogP value of 3.81012 indicates that 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one. Following Lipinski's Rule of Five, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one has 0 hydrogen bond donor(s) and 8 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 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one?
The CAS number of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one is 775289-68-4.
What is the molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one?
The molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one is C25H26N4O3S.
What is the molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one?
The molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one is 462.17 g/mol.
Where can I buy 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one?
You can request a quote for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.