11R-0247
TL;DR: 11R-0247 (CAS 691868-85-6) is a chemical compound with molecular formula C27H26F3N3O2S and molecular weight 513.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine
Also Known As: 11R-0247, 2-[(2,5-dimethylbenzyl)sulfanyl]-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine, 2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine, 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine
| Molecular Formula | C27H26F3N3O2S |
|---|---|
| Molecular Weight | 513.17 g/mol |
| LogP | 6.50921 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.1698 |
| Heavy Atoms | 36 |
| Complexity | 1482.0863 |
Chemical Identifiers
| CAS Number | 691868-85-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC(=CC=C4)C(F)(F)F)OC)OC |
Product Overview
11R-0247 (CAS 691868-85-6), with molecular formula C27H26F3N3O2S and molecular weight 513.17 g/mol. IUPAC: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine.
Chemical Property Profile of 11R-0247
Property Insights of 11R-0247
The XLogP value of 6.50921 indicates that 11R-0247 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-0247. Following Lipinski's Rule of Five, 11R-0247 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-0247?
The CAS number of 11R-0247 is 691868-85-6.
What is the molecular formula of 11R-0247?
The molecular formula of 11R-0247 is C27H26F3N3O2S.
What is the molecular weight of 11R-0247?
The molecular weight of 11R-0247 is 513.17 g/mol.
Where can I buy 11R-0247?
You can request a quote for 11R-0247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0247?
Yes, KEHONG BIO provides custom synthesis services for 11R-0247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.