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CAS 68254-41-1 3-(Trifluoromethyl)phenyltrimethylammonium Hydroxide (5% in Methanol) [for Transesterification of Glyceride] molecular structure lightbox
CAS RN: 68254-41-1

3-(Trifluoromethyl)phenyltrimethylammonium Hydroxide (5% in Methanol) [for Transesterification of Glyceride]

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 1ml / 5ml / 25ml Confirm by inquiry Shandong Inquiry
  • Product code: ICTT0961
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68254-41-1 / trimethyl-[3-(trifluoromethyl)phenyl]azanium hydroxide

Standard CAS: 68254-41-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68254-41-1
Multi CAS
Yes
Molecular Formula
C10F3H14NO
Molecular Weight
221.220000
Exact Mass
221.102749
InChI
InChI=1S/C10H13F3N.H2O/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;/h4-7H,1-3H3;1H2/q+1;/p-1
InChIKey
BFPOZPZYPNVMHU-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.95
TPSA
30

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.73
Consensus LogP
2.62
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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