CAS RN: 70713-45-0
Aligeron
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.20250303 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS70713-45-0
- Purity/Analytical Methods: >99.0%
70713-45-0 / 1-benzhydryl-4-prop-2-enylpiperazine
Basic Information
CAS
70713-45-0
Multi CAS
Yes
Molecular Formula
C20H24N2
Molecular Weight
292.400000
Exact Mass
292.193949
InChI
InChI=1S/C20H24N2/c1-2-13-21-14-16-22(17-15-21)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-12,20H,1,13-17H2
InChIKey
QWGCFVBATALVAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
92.94
TPSA
6.48
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
4.3
Consensus LogP
3.68
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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