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CAS 885275-05-8 5-FLUORO-2-PIPERIDIN-2-YL-1H-BENZOIMIDAZOLE molecular structure lightbox
CAS RN: 885275-05-8

5-FLUORO-2-PIPERIDIN-2-YL-1H-BENZOIMIDAZOLE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS885275-05-8
  • Purity/Analytical Methods: >99.0%
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885275-05-8 / 6-fluoro-2-[(2S)-piperidin-2-yl]-1H-benzimidazole

Standard CAS: 885275-05-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885275-05-8
Multi CAS
Yes
Molecular Formula
C12FH14N3
Molecular Weight
219.260000
Exact Mass
219.117176
InChI
InChI=1S/C12H14FN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2,(H,15,16)
InChIKey
WHFCKKIVCAMLFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.65
TPSA
40.71

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
1.9
Consensus LogP
2.21
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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