![2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one structure](/static/products/7778/777866-61-2.webp)
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one
TL;DR: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one (CAS 777866-61-2) is a chemical compound with molecular formula C28H30N4O5 and molecular weight 502.22 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]-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
Also Known As: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one, 2-[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]-7-(3,4-dimethoxyphen yl)-6,7,8-trihydroquinazolin-5-one, 2-{4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}-7-(3,4-DIMETHOXYPHENYL)-5,6,7,8-TETRAHYDROQUINAZOLIN-5-ONE
| Molecular Formula | C28H30N4O5 |
|---|---|
| Molecular Weight | 502.22 g/mol |
| LogP | 3.4574 |
| Topological Polar Surface Area | 86.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.22162 |
| Heavy Atoms | 37 |
| Complexity | 1321.9198 |
Chemical Identifiers
| CAS Number | 777866-61-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)OC |
Product Overview
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one (CAS 777866-61-2), with molecular formula C28H30N4O5 and molecular weight 502.22 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
Chemical Property Profile of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one
Property Insights of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one
The XLogP value of 3.4574 indicates that 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one. Following Lipinski's Rule of Five, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one?
The CAS number of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one is 777866-61-2.
What is the molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one?
The molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one is C28H30N4O5.
What is the molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one?
The molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one is 502.22 g/mol.
Where can I buy 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one?
You can request a quote for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-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]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.