11R-0336
TL;DR: 11R-0336 (CAS 439094-12-9) is a chemical compound with molecular formula C20H20F3N3O2S and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine
Also Known As: 11R-0336, 2-ethylsulfanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine, 2-(ethylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine, 2-(ethylsulfanyl)-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine
| Molecular Formula | C20H20F3N3O2S |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 4.71207 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12283 |
| Heavy Atoms | 29 |
| Complexity | 1096.7472 |
Chemical Identifiers
| CAS Number | 439094-12-9 |
|---|---|
| SMILES | CCSC1=NC2=CC(=C(C=C2C(=N)N1CC3=CC(=CC=C3)C(F)(F)F)OC)OC |
Product Overview
11R-0336 (CAS 439094-12-9), with molecular formula C20H20F3N3O2S and molecular weight 423.12 g/mol. IUPAC: 2-ethylsulfanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine.
Chemical Property Profile of 11R-0336
Property Insights of 11R-0336
The XLogP value of 4.71207 indicates that 11R-0336 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-0336. Following Lipinski's Rule of Five, 11R-0336 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-0336?
The CAS number of 11R-0336 is 439094-12-9.
What is the molecular formula of 11R-0336?
The molecular formula of 11R-0336 is C20H20F3N3O2S.
What is the molecular weight of 11R-0336?
The molecular weight of 11R-0336 is 423.12 g/mol.
Where can I buy 11R-0336?
You can request a quote for 11R-0336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0336?
Yes, KEHONG BIO provides custom synthesis services for 11R-0336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.