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CAS 54022-97-8 5-(3-FLUORO-PHENYL)-FURAN-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 54022-97-8

5-(3-FLUORO-PHENYL)-FURAN-2-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250218 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251010 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250320 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250725 5g Out of stock Inquiry
  • Product code: starshine_CAS54022-97-8
  • Purity/Analytical Methods: >99.0%
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54022-97-8 / 5-(3-fluorophenyl)furan-2-carboxylic acid

Standard CAS: 54022-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54022-97-8
Multi CAS
No
Molecular Formula
C11FH7O3
Molecular Weight
206.170000
Exact Mass
206.037922
InChI
InChI=1S/C11H7FO3/c12-8-3-1-2-7(6-8)9-4-5-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey
ZFRKHCKKEAQDIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.06
TPSA
50.44

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.6
Consensus LogP
2.61
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

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

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