3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689767-89-3) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1H-indol-3-yl)ethyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, F0920-6739, 3-[2-(1H-indol-3-yl)ethyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one, 3-[2-(1H-indol-3-yl)ethyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 3.61969 |
| Topological Polar Surface Area | 66.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 1297.6506 |
Chemical Identifiers
| CAS Number | 689767-89-3 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCC4=CNC5=CC=CC=C54 |
Product Overview
3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689767-89-3), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 3-[2-(1H-indol-3-yl)ethyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 3.61969 indicates that 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. Following Lipinski's Rule of Five, 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one has 2 hydrogen bond donor(s) and 4 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-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 689767-89-3.
What is the molecular formula of 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C22H22N4O2S.
What is the molecular weight of 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 406.15 g/mol.
Where can I buy 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-(2-(1H-indol-3-yl)ethyl)-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-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(1H-indol-3-yl)ethyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.