11R-0322
TL;DR: 11R-0322 (CAS 439094-09-4) is a chemical compound with molecular formula C19H18F3N3O2S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-methylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine
Also Known As: 11R-0322, 6,7-dimethoxy-2-(methylsulfanyl)-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine, 6,7-dimethoxy-2-methylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine, 6,7-dimethoxy-2-(methylsulfanyl)-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine
| Molecular Formula | C19H18F3N3O2S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 4.32197 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.10718 |
| Heavy Atoms | 28 |
| Complexity | 1080.4325 |
Chemical Identifiers
| CAS Number | 439094-09-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SC)CC3=CC(=CC=C3)C(F)(F)F)OC |
Product Overview
11R-0322 (CAS 439094-09-4), with molecular formula C19H18F3N3O2S and molecular weight 409.11 g/mol. IUPAC: 6,7-dimethoxy-2-methylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine.
Chemical Property Profile of 11R-0322
Property Insights of 11R-0322
The XLogP value of 4.32197 indicates that 11R-0322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 11R-0322. Following Lipinski's Rule of Five, 11R-0322 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 11R-0322?
The CAS number of 11R-0322 is 439094-09-4.
What is the molecular formula of 11R-0322?
The molecular formula of 11R-0322 is C19H18F3N3O2S.
What is the molecular weight of 11R-0322?
The molecular weight of 11R-0322 is 409.11 g/mol.
Where can I buy 11R-0322?
You can request a quote for 11R-0322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0322?
Yes, KEHONG BIO provides custom synthesis services for 11R-0322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.