4-Methylsulfanyl-6-nitroquinazoline
TL;DR: 4-Methylsulfanyl-6-nitroquinazoline (CAS 101714-22-1) is a chemical compound with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-6-nitroquinazoline
Also Known As: 4-methylsulfanyl-6-nitroquinazoline, Quinazoline, 4-(methylthio)-6-nitro-, 4-(methylsulfanyl)-6-nitroquinazoline
| Molecular Formula | C9H7N3O2S |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.0259 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 101714-22-1 |
|---|---|
| SMILES | CSC1=NC=NC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | SRWJGVOXHAIRSQ-UHFFFAOYSA-N |
Product Overview
4-Methylsulfanyl-6-nitroquinazoline (CAS 101714-22-1), with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol. IUPAC: 4-methylsulfanyl-6-nitroquinazoline.
Chemical Property Profile of 4-Methylsulfanyl-6-nitroquinazoline
Property Insights of 4-Methylsulfanyl-6-nitroquinazoline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylsulfanyl-6-nitroquinazoline. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylsulfanyl-6-nitroquinazoline. Following Lipinski's Rule of Five, 4-Methylsulfanyl-6-nitroquinazoline 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-Methylsulfanyl-6-nitroquinazoline?
The CAS number of 4-Methylsulfanyl-6-nitroquinazoline is 101714-22-1.
What is the molecular formula of 4-Methylsulfanyl-6-nitroquinazoline?
The molecular formula of 4-Methylsulfanyl-6-nitroquinazoline is C9H7N3O2S.
What is the molecular weight of 4-Methylsulfanyl-6-nitroquinazoline?
The molecular weight of 4-Methylsulfanyl-6-nitroquinazoline is 221.03 g/mol.
Where can I buy 4-Methylsulfanyl-6-nitroquinazoline?
You can request a quote for 4-Methylsulfanyl-6-nitroquinazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylsulfanyl-6-nitroquinazoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylsulfanyl-6-nitroquinazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.