![5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one structure](/static/products/4391/439109-35-0.webp)
5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one
TL;DR: 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one (CAS 439109-35-0) is a chemical compound with molecular formula C21H15F6N3O3S and molecular weight 503.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one
Also Known As: 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one, 5R-0028, 5-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one, 5-({[3,5-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-8,9-dimethoxy-2H,3H-imidazo[1,2-c]quinazolin-2-one
| Molecular Formula | C21H15F6N3O3S |
|---|---|
| Molecular Weight | 503.07 g/mol |
| LogP | 5.2647 |
| Topological Polar Surface Area | 63.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.07382 |
| Heavy Atoms | 34 |
| Complexity | 1191.2053 |
Chemical Identifiers
| CAS Number | 439109-35-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=NC(=O)CN3C(=N2)SCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)OC |
Product Overview
5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one (CAS 439109-35-0), with molecular formula C21H15F6N3O3S and molecular weight 503.07 g/mol. IUPAC: 5-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one.
Chemical Property Profile of 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one
Property Insights of 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one
The XLogP value of 5.2647 indicates that 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one. Following Lipinski's Rule of Five, 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one?
The CAS number of 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is 439109-35-0.
What is the molecular formula of 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one?
The molecular formula of 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is C21H15F6N3O3S.
What is the molecular weight of 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one?
The molecular weight of 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one is 503.07 g/mol.
Where can I buy 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one?
You can request a quote for 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-{[3,5-bis(trifluoromethyl)benzyl]sulfanyl}-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.