CAS RN: 35543-25-0
1-(3-Cyanopropyl)pyrrolidine
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-142568
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: 25ml
- 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 |
|---|---|---|---|---|
| 25ml | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
35543-25-0 / 4-pyrrolidin-1-ylbutanenitrile
Basic Information
CAS
35543-25-0
Multi CAS
Yes
Molecular Formula
C8H14N2
Molecular Weight
138.210000
Exact Mass
138.115698
InChI
InChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h1-4,6-8H2
InChIKey
OSDDDHPYSNZBPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
40.52
TPSA
27.03
LogP / Solubility
WLOGP
1.39
MLOGP
1.21
XLogP3
0.8
Consensus LogP
1.13
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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1-Methylpyrrolidine
- CAS RN: 120-94-5
- Product Code: ICTM0415
- Purity/Analytical method: >98.0%(GC)(T)
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