3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689768-91-0) is a chemical compound with molecular formula C21H30N4O2S and molecular weight 402.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(azepan-1-yl)propyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-[3-(azepan-1-yl)propyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one, 3-[3-(azepan-1-yl)propyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one, 3-(3-(azepan-1-yl)propyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-[3-(1-azepanyl)propyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C21H30N4O2S |
|---|---|
| Molecular Weight | 402.21 g/mol |
| LogP | 3.16179 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.20895 |
| Heavy Atoms | 28 |
| Complexity | 908.742 |
Chemical Identifiers
| CAS Number | 689768-91-0 |
|---|---|
| SMILES | C1CCCN(CC1)CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S |
Product Overview
3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689768-91-0), with molecular formula C21H30N4O2S and molecular weight 402.21 g/mol. IUPAC: 3-[3-(azepan-1-yl)propyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 3.16179 indicates that 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, 3-(3-azepan-1-ylpropyl)-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-azepan-1-ylpropyl)-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-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 689768-91-0.
What is the molecular formula of 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C21H30N4O2S.
What is the molecular weight of 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 402.21 g/mol.
Where can I buy 3-(3-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-(3-azepan-1-ylpropyl)-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-azepan-1-ylpropyl)-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-azepan-1-ylpropyl)-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.