![2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine structure](/static/products/6918/691869-01-9.webp)
2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine
TL;DR: 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine (CAS 691869-01-9) is a chemical compound with molecular formula C22H24F3N3O2S and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-(2-methylpropylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine
Also Known As: 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine, 6,7-dimethoxy-2-(2-methylpropylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine, 11R-0331, 6,7-dimethoxy-2-[(2-methylpropyl)sulfanyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine
| Molecular Formula | C22H24F3N3O2S |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 5.34817 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.15414 |
| Heavy Atoms | 31 |
| Complexity | 1143.2749 |
Chemical Identifiers
| CAS Number | 691869-01-9 |
|---|---|
| SMILES | CC(C)CSC1=NC2=CC(=C(C=C2C(=N)N1CC3=CC(=CC=C3)C(F)(F)F)OC)OC |
Product Overview
2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine (CAS 691869-01-9), with molecular formula C22H24F3N3O2S and molecular weight 451.15 g/mol. IUPAC: 6,7-dimethoxy-2-(2-methylpropylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine.
Chemical Property Profile of 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine
Property Insights of 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine
The XLogP value of 5.34817 indicates that 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine 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 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine. Following Lipinski's Rule of Five, 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine 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 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine?
The CAS number of 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine is 691869-01-9.
What is the molecular formula of 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine?
The molecular formula of 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine is C22H24F3N3O2S.
What is the molecular weight of 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine?
The molecular weight of 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine is 451.15 g/mol.
Where can I buy 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine?
You can request a quote for 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine?
Yes, KEHONG BIO provides custom synthesis services for 2-(isobutylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.