![3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one structure](/static/products/577/577695-07-9.png)
3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one
TL;DR: 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one (CAS 577695-07-9) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one
Also Known As: 3-methoxy-2-((4-nitrobenzyl)thio)quinazolin-4(3H)-one, 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one, 3-methoxy-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 2.6554 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 953.6889 |
Chemical Identifiers
| CAS Number | 577695-07-9 |
|---|---|
| SMILES | CON1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one (CAS 577695-07-9), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: 3-methoxy-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one
Property Insights of 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one
The XLogP value of 2.6554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 6 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-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one?
The CAS number of 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one is 577695-07-9.
What is the molecular formula of 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one?
The molecular formula of 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one is C16H13N3O4S.
What is the molecular weight of 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one?
The molecular weight of 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one is 343.06 g/mol.
Where can I buy 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one?
You can request a quote for 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-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-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.