11R-0246
TL;DR: 11R-0246 (CAS 439093-89-7) is a chemical compound with molecular formula C25H21F4N3O2S and molecular weight 503.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine
Also Known As: 11R-0246, 2-[(4-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine, 2-[(4-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine, 2-{[(4-fluorophenyl)methyl]sulfanyl}-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine
| Molecular Formula | C25H21F4N3O2S |
|---|---|
| Molecular Weight | 503.13 g/mol |
| LogP | 6.03147 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.12906 |
| Heavy Atoms | 35 |
| Complexity | 1419.6461 |
Chemical Identifiers
| CAS Number | 439093-89-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC(=CC=C4)C(F)(F)F)OC |
Product Overview
11R-0246 (CAS 439093-89-7), with molecular formula C25H21F4N3O2S and molecular weight 503.13 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine.
Chemical Property Profile of 11R-0246
Property Insights of 11R-0246
The XLogP value of 6.03147 indicates that 11R-0246 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-0246. Following Lipinski's Rule of Five, 11R-0246 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11R-0246?
The CAS number of 11R-0246 is 439093-89-7.
What is the molecular formula of 11R-0246?
The molecular formula of 11R-0246 is C25H21F4N3O2S.
What is the molecular weight of 11R-0246?
The molecular weight of 11R-0246 is 503.13 g/mol.
Where can I buy 11R-0246?
You can request a quote for 11R-0246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0246?
Yes, KEHONG BIO provides custom synthesis services for 11R-0246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.