3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689227-92-7) is a chemical compound with molecular formula C20H21N3OS and molecular weight 351.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-piperidin-1-yl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-benzyl-6-piperidin-1-yl-2-sulfanylidene-1H-quinazolin-4-one, F3168-1916, 3-benzyl-6-(1-piperidyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-benzyl-6-(piperidin-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
| Molecular Formula | C20H21N3OS |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 4.09769 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.14053 |
| Heavy Atoms | 25 |
| Complexity | 1000.8653 |
Chemical Identifiers
| CAS Number | 689227-92-7 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=CC=C4 |
Product Overview
3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689227-92-7), with molecular formula C20H21N3OS and molecular weight 351.14 g/mol. IUPAC: 3-benzyl-6-piperidin-1-yl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 4.09769 indicates that 3-benzyl-6-(piperidin-1-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 41.03 Ų, 3-benzyl-6-(piperidin-1-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-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one has 1 hydrogen bond donor(s) and 3 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-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 689227-92-7.
What is the molecular formula of 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C20H21N3OS.
What is the molecular weight of 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 351.14 g/mol.
Where can I buy 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-benzyl-6-(piperidin-1-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-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-(piperidin-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.