CAS RN: 1595278-21-9
GSK717
Product Availability
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9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260523 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251123 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250903 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250711 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251031 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260609 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250919 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1595278-21-9
- Purity/Analytical Methods: >99.0%
1595278-21-9 / N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylbenzamide
Basic Information
CAS
1595278-21-9
Multi CAS
No
Molecular Formula
C28H28N4O2
Molecular Weight
452.500000
Exact Mass
452.221226
SMILES
CN(CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(CCC4)C=C3)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C28H28N4O2/c1-31(28(34)21-8-3-2-4-9-21)17-16-26-30-24-12-5-6-13-25(24)32(26)19-27(33)29-23-15-14-20-10-7-11-22(20)18-23/h2-6,8-9,12-15,18H,7,10-11,16-17,19H2,1H3,(H,29,33)
InChIKey
YDOATJUIIFWTKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
133.94
TPSA
67.23
LogP / Solubility
WLOGP
4.48
MLOGP
3.97
XLogP3
4.7
Consensus LogP
4.38
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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