4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
TL;DR: 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one (CAS 898450-67-4) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-2-one
Also Known As: F2684-0119, 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one, 4-[(3-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-2-one, 4-{[(3-nitrophenyl)methyl]sulfanyl}-1,2,5,6,7,8-hexahydroquinazolin-2-one
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 2.8492 |
| Topological Polar Surface Area | 88.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 772.8683 |
Chemical Identifiers
| CAS Number | 898450-67-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=NC(=O)N2)SCC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one (CAS 898450-67-4), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: 4-[(3-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
Chemical Property Profile of 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
Property Insights of 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
The XLogP value of 2.8492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one. The TPSA of 88.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one. Following Lipinski's Rule of Five, 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one has 1 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 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The CAS number of 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is 898450-67-4.
What is the molecular formula of 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The molecular formula of 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is C15H15N3O3S.
What is the molecular weight of 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The molecular weight of 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is 317.08 g/mol.
Where can I buy 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
You can request a quote for 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.