CAS RN: 200004-38-2
4,4′,4”-Trifluorotrityl Bromide
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.20250120 | 1G | Out of stock | 15 business days | Inquiry |
- Product code: ICTT1465
- Purity/Analytical Methods: >97.0%(T)
200004-38-2 / 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene
Basic Information
CAS
200004-38-2
Multi CAS
No
Molecular Formula
C19H12BrF3
Molecular Weight
377.200000
Exact Mass
376.007450
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)Br)F
InChI
InChI=1S/C19H12BrF3/c20-19(13-1-7-16(21)8-2-13,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H
InChIKey
DYMCGODRYMABQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
88.01
TPSA
0.0000
LogP / Solubility
WLOGP
5.79
MLOGP
5.12
XLogP3
6
Consensus LogP
5.64
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501
