CAS RN: 613-39-8
1,4-DIPHENYLPIPERAZINE
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.20260605 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS613-39-8
- Purity/Analytical Methods: >99.0%
613-39-8 / 1,4-diphenylpiperazine
Basic Information
CAS
613-39-8
Multi CAS
Yes
Molecular Formula
C16H18N2
Molecular Weight
238.330000
Exact Mass
238.146999
InChI
InChI=1S/C16H18N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
LLZRSOPHIGKISM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
77.31
TPSA
6.48
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
3.6
Consensus LogP
3.09
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
