![CAS 890842-28-1 2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl-benzoicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/890842-28-1.gif)
CAS RN: 890842-28-1
2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl-benzoicacid
Product Availability
Choose a grade to view its available package options.
13 package records12 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251207 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250901 | 10mg | Out of stock | Inquiry | |
| Batchno.20251117 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260418 | 250mg | In stock | Shenzhen | Inquiry |
| Batchno.20250622 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250629 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250225 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250424 | 1ml | In stock | Inquiry |
- Product code: SSC-200952
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
890842-28-1 / 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
Basic Information
CAS
890842-28-1
Multi CAS
Yes
Molecular Formula
C25H22N2O2
Molecular Weight
382.500000
Exact Mass
382.168128
InChI
InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)
InChIKey
WVSBGSNVCDAMCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
21
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
115.13
TPSA
65.98
LogP / Solubility
WLOGP
6.25
MLOGP
5.52
XLogP3
6.1
Consensus LogP
5.96
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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