![3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one structure](/static/products/6897/689766-75-4.webp)
3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689766-75-4) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 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-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, F0920-6737, 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one, 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 3-(benzo[1,3]dioxol-5-ylmethyl)-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.67269 |
| Topological Polar Surface Area | 68.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 1164.305 |
Chemical Identifiers
| CAS Number | 689766-75-4 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC5=C(C=C4)OCO5 |
Product Overview
3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689766-75-4), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 2.67269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. The TPSA of 68.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. Following Lipinski's Rule of Five, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one has 1 hydrogen bond donor(s) and 6 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 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 689766-75-4.
What is the molecular formula of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C20H19N3O4S.
What is the molecular weight of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 397.11 g/mol.
Where can I buy 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.