CAS RN: 2290527-07-8
Bractoppin
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260701 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260417 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250309 | 1g | Out of stock | Inquiry | |
| Batchno.20260325 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250129 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250328 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2290527-07-8
- Purity/Analytical Methods: >99.0%
2290527-07-8 / [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(2-phenyl-3H-benzimidazol-5-yl)methanone
Basic Information
CAS
2290527-07-8
Multi CAS
No
Molecular Formula
C25H23FN4O
Molecular Weight
414.500000
Exact Mass
414.185590
SMILES
C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5
InChI
InChI=1S/C25H23FN4O/c26-21-9-5-4-8-20(21)17-29-12-14-30(15-13-29)25(31)19-10-11-22-23(16-19)28-24(27-22)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)
InChIKey
UHDGSNOZRAAGIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
119.11
TPSA
52.23
LogP / Solubility
WLOGP
4.33
MLOGP
3.83
XLogP3
4
Consensus LogP
4.05
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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