3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one
TL;DR: 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one (CAS 115934-16-2) 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-(1-benzylpiperidin-4-yl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one, 3-(1-benzylpiperidin-4-yl)-2-sulfanylidene-1H-quinazolin-4-one, F6609-8428, 3-(1-benzyl-4-piperidyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(1-Benzyl-piperidin-4-yl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one
| Molecular Formula | C20H21N3OS |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 3.89619 |
| 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 | 984.9891 |
Chemical Identifiers
| CAS Number | 115934-16-2 |
|---|---|
| SMILES | C1CN(CCC1N2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4 |
Product Overview
3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one (CAS 115934-16-2), with molecular formula C20H21N3OS and molecular weight 351.14 g/mol. IUPAC: 3-(1-benzylpiperidin-4-yl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one
Property Insights of 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one
The XLogP value of 3.89619 indicates that 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-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-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-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-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one?
The CAS number of 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one is 115934-16-2.
What is the molecular formula of 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one?
The molecular formula of 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one is C20H21N3OS.
What is the molecular weight of 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one?
The molecular weight of 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one is 351.14 g/mol.
Where can I buy 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one?
You can request a quote for 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-benzylpiperidin-4-yl)-2-sulfanylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.