![3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one structure](/static/products/6892/689228-04-4.webp)
3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one
TL;DR: 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one (CAS 689228-04-4) is a chemical compound with molecular formula C27H26N4O3S and molecular weight 486.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one
Also Known As: 3-benzyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one, F3168-1928, 3-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one, 3-benzyl-2-((4-nitrobenzyl)thio)-6-(piperidin-1-yl)quinazolin-4(3H)-one, 3-benzyl-2-[(4-nitrobenzyl)thio]-6-piperidin-1-ylquinazolin-4(3H)-one
| Molecular Formula | C27H26N4O3S |
|---|---|
| Molecular Weight | 486.17 g/mol |
| LogP | 5.6356 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.17258 |
| Heavy Atoms | 35 |
| Complexity | 1398.1301 |
Chemical Identifiers
| CAS Number | 689228-04-4 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one (CAS 689228-04-4), with molecular formula C27H26N4O3S and molecular weight 486.17 g/mol. IUPAC: 3-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one.
Chemical Property Profile of 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one
Property Insights of 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one
The XLogP value of 5.6356 indicates that 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one. Following Lipinski's Rule of Five, 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one has 0 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-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one?
The CAS number of 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one is 689228-04-4.
What is the molecular formula of 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one?
The molecular formula of 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one is C27H26N4O3S.
What is the molecular weight of 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one?
The molecular weight of 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one is 486.17 g/mol.
Where can I buy 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one?
You can request a quote for 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-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-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.