![3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one structure](/static/products/6897/689772-69-8.webp)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
TL;DR: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one (CAS 689772-69-8) is a chemical compound with molecular formula C27H24N4O6S and molecular weight 532.14 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-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one
Also Known As: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one, F0921-6817, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-((4-nitrobenzyl)thio)quinazolin-4(3H)-one, 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one, 3-(benzo[1,3]dioxol-5-ylmethyl)-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one
| Molecular Formula | C27H24N4O6S |
|---|---|
| Molecular Weight | 532.14 g/mol |
| LogP | 4.2106 |
| Topological Polar Surface Area | 108.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.14166 |
| Heavy Atoms | 38 |
| Complexity | 1566.88 |
Chemical Identifiers
| CAS Number | 689772-69-8 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one (CAS 689772-69-8), with molecular formula C27H24N4O6S and molecular weight 532.14 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
Property Insights of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
The XLogP value of 4.2106 indicates that 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.96 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-{[(4-nitrophenyl)methyl]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-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-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 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one?
The CAS number of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one is 689772-69-8.
What is the molecular formula of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one is C27H24N4O6S.
What is the molecular weight of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one is 532.14 g/mol.
Where can I buy 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]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-{[(4-nitrophenyl)methyl]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-{[(4-nitrophenyl)methyl]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-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.