CAS RN: 1458664-10-2
β-catenin-IN-2
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.20251104 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1458664-10-2
- Purity/Analytical Methods: >99.0%
1458664-10-2 / 4-(6-fluoro-1H-benzimidazol-2-yl)-N,N-dimethylaniline
Basic Information
CAS
1458664-10-2
Multi CAS
No
Molecular Formula
C15H14FN3
Molecular Weight
255.290000
Exact Mass
255.117176
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)F
InChI
InChI=1S/C15H14FN3/c1-19(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)18-15/h3-9H,1-2H3,(H,17,18)
InChIKey
ALWZHAOGGMSYPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.81
TPSA
31.92
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
3.5
Consensus LogP
3.32
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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