CAS RN: 931115-08-1
(3S)-1-methyl-3-phenylpiperazine
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.20250112 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS931115-08-1
- Purity/Analytical Methods: >99.0%
931115-08-1 / 1-methyl-3-phenylpiperazine
Basic Information
CAS
931115-08-1
Multi CAS
Yes
Molecular Formula
C11H16N2
Molecular Weight
176.260000
Exact Mass
176.131349
InChI
InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-/m1/s1
InChIKey
IRMBVBDXXYXPEW-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.68
TPSA
15.27
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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