CAS RN: 124526-82-5
4-Pyrazolidinemethanamine, 1,2-diethyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250108 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS124526-82-5
- Purity/Analytical Methods: >99.0%
124526-82-5 / (1,2-diethylpyrazolidin-4-yl)methanamine
Basic Information
CAS
124526-82-5
Multi CAS
No
Molecular Formula
C8H19N3
Molecular Weight
157.260000
Exact Mass
157.157898
SMILES
CCN1CC(CN1CC)CN
InChI
InChI=1S/C8H19N3/c1-3-10-6-8(5-9)7-11(10)4-2/h8H,3-7,9H2,1-2H3
InChIKey
LWJUZOMOLAVPBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.04
TPSA
32.5
LogP / Solubility
WLOGP
0.13
MLOGP
0.11
XLogP3
0.3
Consensus LogP
0.18
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.15
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)
-3.58
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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