CAS RN: 1245647-91-9
1-(1-PHENYLCYCLOPROPYL)PIPERAZINE
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.20250307 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1245647-91-9
- Purity/Analytical Methods: >99.0%
1245647-91-9 / 1-(1-phenylcyclopropyl)piperazine
Basic Information
CAS
1245647-91-9
Multi CAS
No
Molecular Formula
C13H18N2
Molecular Weight
202.300000
Exact Mass
202.146999
SMILES
C1CC1(C2=CC=CC=C2)N3CCNCC3
InChI
InChI=1S/C13H18N2/c1-2-4-12(5-3-1)13(6-7-13)15-10-8-14-9-11-15/h1-5,14H,6-11H2
InChIKey
WIFPWYFVWPLROU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.8
TPSA
15.27
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.83
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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