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CAS 392-61-0 2,4-Difluoro-1,3,5-trimethylbenzene molecular structure lightbox
CAS RN: 392-61-0

2,4-Difluoro-1,3,5-trimethylbenzene

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250430 100mg In stock Shenzhen Inquiry
Batchno.20250731 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260619 250mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260515 5g Out of stock Inquiry
  • Product code: starshine_CAS392-61-0
  • Purity/Analytical Methods: >99.0%
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392-61-0 / 2,4-difluoro-1,3,5-trimethylbenzene

Standard CAS: 392-61-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
392-61-0
Multi CAS
Yes
Molecular Formula
C9F2H10
Molecular Weight
156.170000
Exact Mass
156.075057
InChI
InChI=1S/C9H10F2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3
InChIKey
NVFSIQSIVNEENG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
40.57
TPSA
0.0000

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
3.2
Consensus LogP
2.88
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-1.62

Drug-likeness / Medicinal Chemistry

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

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