![2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone structure](/static/products/3290/329079-89-2.webp)
2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone
TL;DR: 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone (CAS 329079-89-2) is a chemical compound with molecular formula C21H15N3O3S and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
Also Known As: 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone, 2-[(4-nitrophenyl)methylsulfanyl]-3-phenylquinazolin-4-one, 2-{[(4-nitrophenyl)methyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one, 2-((4-Nitrobenzyl)thio)-3-phenylquinazolin-4(3H)-one, 2-(4-Nitrobenzyl)sulfanyl-3-phenyl-4(3H)-quinazolinone
| Molecular Formula | C21H15N3O3S |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 4.5862 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.0834 |
| Heavy Atoms | 28 |
| Complexity | 1205.2313 |
Chemical Identifiers
| CAS Number | 329079-89-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone (CAS 329079-89-2), with molecular formula C21H15N3O3S and molecular weight 389.08 g/mol. IUPAC: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenylquinazolin-4-one.
Chemical Property Profile of 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone
Property Insights of 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone
The XLogP value of 4.5862 indicates that 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone has 0 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 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone?
The CAS number of 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone is 329079-89-2.
What is the molecular formula of 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone?
The molecular formula of 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone is C21H15N3O3S.
What is the molecular weight of 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone?
The molecular weight of 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone is 389.08 g/mol.
Where can I buy 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone?
You can request a quote for 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.