![4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline structure](/static/products/5777/577786-85-7.webp)
4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline
TL;DR: 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline (CAS 577786-85-7) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-[(3-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline
Also Known As: 4-methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline, 4-methyl-2-[(3-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline, 4-methyl-2-((3-nitrobenzyl)thio)-5,6,7,8-tetrahydroquinazoline, 4-methyl-2-[(3-nitrophenyl)methylthio]-5,6,7,8-tetrahydroquinazoline, 4-METHYL-2-{[(3-NITROPHENYL)METHYL]SULFANYL}-5,6,7,8-TETRAHYDROQUINAZOLINE
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 3.86432 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 718.5323 |
Chemical Identifiers
| CAS Number | 577786-85-7 |
|---|---|
| SMILES | CC1=C2CCCCC2=NC(=N1)SCC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline (CAS 577786-85-7), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: 4-methyl-2-[(3-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline.
Chemical Property Profile of 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline
Property Insights of 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline
The XLogP value of 3.86432 indicates that 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline. Following Lipinski's Rule of Five, 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline 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 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline?
The CAS number of 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline is 577786-85-7.
What is the molecular formula of 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline?
The molecular formula of 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline is C16H17N3O2S.
What is the molecular weight of 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline?
The molecular weight of 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline is 315.10 g/mol.
Where can I buy 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline?
You can request a quote for 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.