CAS RN: 63877-96-3
2-(4-FLUOROBENZYL)THIOPHENE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260108 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS63877-96-3
- Purity/Analytical Methods: >99.0%
63877-96-3 / 2-[(4-fluorophenyl)methyl]thiophene
Basic Information
CAS
63877-96-3
Multi CAS
No
Molecular Formula
C11FH9S
Molecular Weight
192.250000
Exact Mass
192.040900
InChI
InChI=1S/C11H9FS/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h1-7H,8H2
InChIKey
YBIBLJMBFUFDOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
53.53
TPSA
28.2000
LogP / Solubility
WLOGP
3.48
MLOGP
3.06
XLogP3
3.7
Consensus LogP
3.41
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-1.42
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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