CAS RN: 132869-83-1
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9 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251120 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251102 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250512 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260312 | 1g | Out of stock | Inquiry | ||
| Batchno.20260626 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250201 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250512 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251031 | 50mg | In stock | Shenzhen | Inquiry | |
| Batchno.20250109 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS132869-83-1
- Purity/Analytical Methods: >99.0%
132869-83-1 / 3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
Basic Information
CAS
132869-83-1
Multi CAS
No
Molecular Formula
C25H24N6O
Molecular Weight
424.500000
Exact Mass
424.201159
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC(=CC=C6)O
InChI
InChI=1S/C25H24N6O/c1-30-9-11-31(12-10-30)18-6-8-21-23(15-18)29-25(27-21)17-5-7-20-22(14-17)28-24(26-20)16-3-2-4-19(32)13-16/h2-8,13-15,32H,9-12H2,1H3,(H,26,28)(H,27,29)
InChIKey
WOFDIDGQAOQHGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
127.99
TPSA
84.07
LogP / Solubility
WLOGP
4.23
MLOGP
3.75
XLogP3
4
Consensus LogP
3.99
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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