![3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one structure](/static/products/6897/689772-31-4.webp)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one
TL;DR: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one (CAS 689772-31-4) is a chemical compound with molecular formula C28H25N3O5S and molecular weight 515.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-phenacylsulfanylquinazolin-4-one
Also Known As: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one, F6548-4221, 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-phenacylsulfanylquinazolin-4-one, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-((2-oxo-2-phenylethyl)thio)quinazolin-4(3H)-one, 3-(benzo[1,3]dioxol-5-ylmethyl)-6-morpholin-4-yl-2-phenacylsulfanyl-quinazolin-4-one
| Molecular Formula | C28H25N3O5S |
|---|---|
| Molecular Weight | 515.15 g/mol |
| LogP | 3.9851 |
| Topological Polar Surface Area | 82.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.1515 |
| Heavy Atoms | 37 |
| Complexity | 1516.0343 |
Chemical Identifiers
| CAS Number | 689772-31-4 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC(=O)C6=CC=CC=C6 |
Product Overview
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one (CAS 689772-31-4), with molecular formula C28H25N3O5S and molecular weight 515.15 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-phenacylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one
Property Insights of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one
The XLogP value of 3.9851 indicates that 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one?
The CAS number of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one is 689772-31-4.
What is the molecular formula of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one is C28H25N3O5S.
What is the molecular weight of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one is 515.15 g/mol.
Where can I buy 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.