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CAS 608145-27-3 1,4-Benzenedicarboxaldehyde, 2,5-difluoro- molecular structure lightbox
CAS RN: 608145-27-3

1,4-Benzenedicarboxaldehyde, 2,5-difluoro-

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260421 100mg In stock Shanghai, Guangdong Inquiry
Batchno.20250401 1g In stock Shanghai Inquiry
Batchno.20250801 250mg In stock Shandong Inquiry
Batchno.20260617 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS608145-27-3
  • Purity/Analytical Methods: >99.0%
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608145-27-3 / 2,5-difluoroterephthalaldehyde

Standard CAS: 608145-27-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
608145-27-3
Multi CAS
No
Molecular Formula
C8F2H4O2
Molecular Weight
170.110000
Exact Mass
170.017936
InChI
InChI=1S/C8H4F2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-4H
InChIKey
QIUMSVLKXTWDSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
37.13
TPSA
34.14

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1
Consensus LogP
1.33
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.63

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
1.5

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