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CAS 84392-23-4 2-[4-(TRIFLUOROMETHYL)PHENYL]BENZALDEHYDE molecular structure lightbox
CAS RN: 84392-23-4

2-[4-(TRIFLUOROMETHYL)PHENYL]BENZALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS84392-23-4
  • Purity/Analytical Methods: >99.0%
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84392-23-4 / 2-[4-(trifluoromethyl)phenyl]benzaldehyde

Standard CAS: 84392-23-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84392-23-4
Multi CAS
No
Molecular Formula
C14F3H9O
Molecular Weight
250.210000
Exact Mass
250.060549
InChI
InChI=1S/C14H9F3O/c15-14(16,17)12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-18/h1-9H
InChIKey
UUSBTGUDEHRZTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62.27
TPSA
17.07

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
3.9
Consensus LogP
3.92
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28

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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