CAS RN: 70124-77-5
Flucythrinate solution, 1.00mg/mL in methanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250115 | 1.2ml | Out of stock | 5-7 business days | Inquiry |
- Product code: LINF809984
70124-77-5 / [cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate
Basic Information
CAS
70124-77-5
Multi CAS
Yes
Molecular Formula
C26F2H23NO4
Molecular Weight
451.500000
Exact Mass
451.159515
InChI
InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3
InChIKey
GBIHOLCMZGAKNG-UHFFFAOYSA-N
Physical Properties
Boiling Point
108 °C at 0.35 mm Hg
Density
1.189 at 22 °C
Physical Description
Thick liquid; [Merck Index] Technical product is dark amber liquid; [HSDB] Clear colorless viscous liquid
Appearance
Viscous liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
118.06
TPSA
68.55
LogP / Solubility
WLOGP
6.63
MLOGP
5.86
XLogP3
6.2
Consensus LogP
6.23
Log S (ESOL)
-6.62
Class (ESOL)
Insoluble
Log S (Ali)
-8.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
