![3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one structure](/static/products/6897/689770-99-8.webp)
3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
TL;DR: 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one (CAS 689770-99-8) is a chemical compound with molecular formula C30H37N5O3S and molecular weight 547.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-morpholin-4-yl-3-[[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 3-[4-(1,4'-bipiperidin-1'-ylcarbonyl)benzyl]-6-morpholin-4-yl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6-morpholin-4-yl-3-[[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one, 3-(4-([1,4'-bipiperidine]-1'-carbonyl)benzyl)-6-morpholino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C30H37N5O3S |
|---|---|
| Molecular Weight | 547.26 g/mol |
| LogP | 4.03449 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 547.2617 |
| Heavy Atoms | 39 |
| Complexity | 1429.7136 |
Chemical Identifiers
| CAS Number | 689770-99-8 |
|---|---|
| SMILES | C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)N6CCOCC6)NC4=S |
Product Overview
3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one (CAS 689770-99-8), with molecular formula C30H37N5O3S and molecular weight 547.26 g/mol. IUPAC: 6-morpholin-4-yl-3-[[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
Property Insights of 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
The XLogP value of 4.03449 indicates that 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one. Following Lipinski's Rule of Five, 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one?
The CAS number of 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one is 689770-99-8.
What is the molecular formula of 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one?
The molecular formula of 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one is C30H37N5O3S.
What is the molecular weight of 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one?
The molecular weight of 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one is 547.26 g/mol.
Where can I buy 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one?
You can request a quote for 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-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-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.