CAS RN: 929974-71-0
2-AMINO-4,5-DIMETHYL-1-(2-PIPERAZIN-1-YLETHYL)-1H-PYRROLE-3-CARBONITRILE
- Product code: SSC-206950
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 | Hong Kong | Inquiry |
929974-71-0 / 2-amino-4,5-dimethyl-1-(2-piperazin-1-ylethyl)pyrrole-3-carbonitrile
Basic Information
CAS
929974-71-0
Multi CAS
No
Molecular Formula
C13H21N5
Molecular Weight
247.340000
Exact Mass
247.179696
InChI
InChI=1S/C13H21N5/c1-10-11(2)18(13(15)12(10)9-14)8-7-17-5-3-16-4-6-17/h16H,3-8,15H2,1-2H3
InChIKey
YZYZIZCMDVHBNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
72.34
TPSA
70.01
LogP / Solubility
WLOGP
0.46
MLOGP
0.41
XLogP3
0.7
Consensus LogP
0.52
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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