![CAS 88745-30-6 5H-Cyclopenta[c]pyridine-4-carbonitrile, 3-amino-6,7-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/88745-30-6.gif)
CAS RN: 88745-30-6
5H-Cyclopenta[c]pyridine-4-carbonitrile, 3-amino-6,7-dihydro-
- Product code: SSC-200298
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
88745-30-6 / 3-amino-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Basic Information
CAS
88745-30-6
Multi CAS
Yes
Molecular Formula
C9H9N3
Molecular Weight
159.190000
Exact Mass
159.079647
InChI
InChI=1S/C9H9N3/c10-4-8-7-3-1-2-6(7)5-12-9(8)11/h5H,1-3H2,(H2,11,12)
InChIKey
WYFHCOSNNVXURT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.39
TPSA
62.7
LogP / Solubility
WLOGP
1.02
MLOGP
0.9
XLogP3
1.6
Consensus LogP
1.17
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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