12R-0222
TL;DR: 12R-0222 (CAS 439094-69-6) is a chemical compound with molecular formula C30H40F3N3O2S and molecular weight 563.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dodecylsulfanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine
Also Known As: 12R-0222, 2-(dodecylsulfanyl)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine, 2-dodecylsulfanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine, 2-(dodecylsulfanyl)-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine
| Molecular Formula | C30H40F3N3O2S |
|---|---|
| Molecular Weight | 563.28 g/mol |
| LogP | 8.61307 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 563.27936 |
| Heavy Atoms | 39 |
| Complexity | 1260.6567 |
Chemical Identifiers
| CAS Number | 439094-69-6 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NC2=CC(=C(C=C2C(=N)N1CC3=CC(=CC=C3)C(F)(F)F)OC)OC |
Product Overview
12R-0222 (CAS 439094-69-6), with molecular formula C30H40F3N3O2S and molecular weight 563.28 g/mol. IUPAC: 2-dodecylsulfanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine.
Chemical Property Profile of 12R-0222
Property Insights of 12R-0222
The XLogP value of 8.61307 indicates that 12R-0222 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 12R-0222. Following Lipinski's Rule of Five, 12R-0222 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 12R-0222?
The CAS number of 12R-0222 is 439094-69-6.
What is the molecular formula of 12R-0222?
The molecular formula of 12R-0222 is C30H40F3N3O2S.
What is the molecular weight of 12R-0222?
The molecular weight of 12R-0222 is 563.28 g/mol.
Where can I buy 12R-0222?
You can request a quote for 12R-0222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12R-0222?
Yes, KEHONG BIO provides custom synthesis services for 12R-0222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.