CAS RN: 209592-45-0
Thiophene, 2-(2-fluorophenyl)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251027 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS209592-45-0
- Purity/Analytical Methods: >99.0%
209592-45-0 / 2-(2-fluorophenyl)thiophene
Basic Information
CAS
209592-45-0
Multi CAS
No
Molecular Formula
C10H7FS
Molecular Weight
178.230000
Exact Mass
178.025250
SMILES
C1=CC=C(C(=C1)C2=CC=CS2)F
InChI
InChI=1S/C10H7FS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7H
InChIKey
GKWFSGWLAWEBKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.71
TPSA
28.2000
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
3.4
Consensus LogP
3.36
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28
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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