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CAS 306936-05-0 5-[4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]-2-FURALDEHYDE molecular structure lightbox
CAS RN: 306936-05-0

5-[4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]-2-FURALDEHYDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260509 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS306936-05-0
  • Purity/Analytical Methods: >99.0%
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306936-05-0 / 5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-carbaldehyde

Standard CAS: 306936-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
306936-05-0
Multi CAS
No
Molecular Formula
C12F4H6O2
Molecular Weight
258.170000
Exact Mass
258.030392
InChI
InChI=1S/C12H6F4O2/c13-10-3-1-7(5-9(10)12(14,15)16)11-4-2-8(6-17)18-11/h1-6H
InChIKey
CBNXGQUIJRGZRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.49
TPSA
30.21

LogP / Solubility

WLOGP
3.92
MLOGP
3.45
XLogP3
3.4
Consensus LogP
3.59
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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)
-1.51

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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