11R-0248
TL;DR: 11R-0248 (CAS 439093-92-2) is a chemical compound with molecular formula C25H21ClF3N3O2S and molecular weight 519.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine
Also Known As: 11R-0248, 2-[(4-chlorobenzyl)sulfanyl]-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine, 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine, 2-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine
| Molecular Formula | C25H21ClF3N3O2S |
|---|---|
| Molecular Weight | 519.10 g/mol |
| LogP | 6.54577 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.0995 |
| Heavy Atoms | 35 |
| Complexity | 1422.8912 |
Chemical Identifiers
| CAS Number | 439093-92-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)C(F)(F)F)OC |
Product Overview
11R-0248 (CAS 439093-92-2), with molecular formula C25H21ClF3N3O2S and molecular weight 519.10 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine.
Chemical Property Profile of 11R-0248
Property Insights of 11R-0248
The XLogP value of 6.54577 indicates that 11R-0248 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-0248. Following Lipinski's Rule of Five, 11R-0248 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-0248?
The CAS number of 11R-0248 is 439093-92-2.
What is the molecular formula of 11R-0248?
The molecular formula of 11R-0248 is C25H21ClF3N3O2S.
What is the molecular weight of 11R-0248?
The molecular weight of 11R-0248 is 519.10 g/mol.
Where can I buy 11R-0248?
You can request a quote for 11R-0248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0248?
Yes, KEHONG BIO provides custom synthesis services for 11R-0248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.