3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689766-81-2) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methoxyphenyl)methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-[(3-methoxyphenyl)methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one, 3-m-anisyl-6-morpholino-2-thioxo-1H-quinazolin-4-one, 3-(3-methoxybenzyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-[(3-methoxyphenyl)methyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 2.95259 |
| Topological Polar Surface Area | 59.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 1083.7574 |
Chemical Identifiers
| CAS Number | 689766-81-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S |
Product Overview
3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689766-81-2), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: 3-[(3-methoxyphenyl)methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 2.95259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 59.49 Ų, 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one has 1 hydrogen bond donor(s) and 5 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-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 689766-81-2.
What is the molecular formula of 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C20H21N3O3S.
What is the molecular weight of 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 383.13 g/mol.
Where can I buy 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-(3-methoxybenzyl)-6-morpholin-4-yl-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-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methoxybenzyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.