![2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one structure](/static/products/7778/777866-69-0.webp)
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one
TL;DR: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one (CAS 777866-69-0) is a chemical compound with molecular formula C30H34N4O3 and molecular weight 498.26 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-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
Also Known As: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-7-(4-isopropylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one, 2-[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]-4-methyl-7-[4-(methy lethyl)phenyl]-6,7,8-trihydroquinazolin-5-one
| Molecular Formula | C30H34N4O3 |
|---|---|
| Molecular Weight | 498.26 g/mol |
| LogP | 4.87202 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.2631 |
| Heavy Atoms | 37 |
| Complexity | 1313.147 |
Chemical Identifiers
| CAS Number | 777866-69-0 |
|---|---|
| SMILES | CC1=C2C(=NC(=N1)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)CC(CC2=O)C6=CC=C(C=C6)C(C)C |
Product Overview
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one (CAS 777866-69-0), with molecular formula C30H34N4O3 and molecular weight 498.26 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
Chemical Property Profile of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one
Property Insights of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one
The XLogP value of 4.87202 indicates that 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one has 0 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 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one?
The CAS number of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one is 777866-69-0.
What is the molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one?
The molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one is C30H34N4O3.
What is the molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one?
The molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one is 498.26 g/mol.
Where can I buy 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.