CAS RN: 914349-67-0
4-(4-ETHYLPIPERAZIN-1-YLMETHYL)BENZYLAMINE
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.20251212 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS914349-67-0
- Purity/Analytical Methods: >99.0%
914349-67-0 / [4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methanamine
Basic Information
CAS
914349-67-0
Multi CAS
No
Molecular Formula
C14H23N3
Molecular Weight
233.350000
Exact Mass
233.189198
InChI
InChI=1S/C14H23N3/c1-2-16-7-9-17(10-8-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3
InChIKey
SAUDSDDZIRPWMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.72
TPSA
32.5
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
0.8
Consensus LogP
1.07
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-3.23
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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