![CAS 90685-59-9 6,7-Dihydro-5H-cyclopenta[b]pyridin-7-yl Acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90685-59-9.gif)
CAS RN: 90685-59-9
6,7-Dihydro-5H-cyclopenta[b]pyridin-7-yl Acetate
- Product code: SSC-203317
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 3 In Stock | Beijing | Inquiry |
90685-59-9 / 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate
Basic Information
CAS
90685-59-9
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
InChI
InChI=1S/C10H11NO2/c1-7(12)13-9-5-4-8-3-2-6-11-10(8)9/h2-3,6,9H,4-5H2,1H3
InChIKey
OBVUPALDLPJGQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.07
TPSA
39.19
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1
Consensus LogP
1.35
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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