![3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one structure](/static/products/6897/689757-27-5.webp)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one
TL;DR: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one (CAS 689757-27-5) is a chemical compound with molecular formula C27H24ClN3O4S and molecular weight 521.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one
Also Known As: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one, F6548-4246, 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-chlorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one
| Molecular Formula | C27H24ClN3O4S |
|---|---|
| Molecular Weight | 521.12 g/mol |
| LogP | 4.9558 |
| Topological Polar Surface Area | 65.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1176 |
| Heavy Atoms | 36 |
| Complexity | 1468.8558 |
Chemical Identifiers
| CAS Number | 689757-27-5 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC6=CC=C(C=C6)Cl |
Product Overview
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one (CAS 689757-27-5), with molecular formula C27H24ClN3O4S and molecular weight 521.12 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one.
Chemical Property Profile of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one
Property Insights of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one
The XLogP value of 4.9558 indicates that 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one has 0 hydrogen bond donor(s) and 7 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]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one?
The CAS number of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one is 689757-27-5.
What is the molecular formula of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one is C27H24ClN3O4S.
What is the molecular weight of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one is 521.12 g/mol.
Where can I buy 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-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]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.