![N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine structure](/static/products/6883/688355-93-3.webp)
N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine
TL;DR: N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine (CAS 688355-93-3) is a chemical compound with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine
Also Known As: N-(2H-1,3-benzodioxol-5-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine, F6548-4642, N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine, N-1,3-benzodioxol-5-yl-2-[(4-nitrobenzyl)thio]quinazolin-4-amine, N-(benzo[d][1,3]dioxol-5-yl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine
| Molecular Formula | C22H16N4O4S |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 5.3026 |
| Topological Polar Surface Area | 99.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.08923 |
| Heavy Atoms | 31 |
| Complexity | 1280.4956 |
Chemical Identifiers
| CAS Number | 688355-93-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine (CAS 688355-93-3), with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine
Property Insights of N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine
The XLogP value of 5.3026 indicates that N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.41 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine is 688355-93-3.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine is C22H16N4O4S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine is 432.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.