CAS RN: 69146-57-2
1,3,5-Tris(Aminomethyl)benzene trihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250915 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS69146-57-2
- Purity/Analytical Methods: >99.0%
69146-57-2 / [3,5-bis(aminomethyl)phenyl]methanamine;trihydrochloride
Basic Information
CAS
69146-57-2
Multi CAS
No
Molecular Formula
C9H18CL3N3
Molecular Weight
274.600000
Exact Mass
273.056631
InChI
InChI=1S/C9H15N3.3ClH/c10-4-7-1-8(5-11)3-9(2-7)6-12;;;/h1-3H,4-6,10-12H2;3*1H
InChIKey
QXLBOWCVKXIACP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
71.86
TPSA
78.06
LogP / Solubility
WLOGP
1.33
MLOGP
1.18
XLogP3
1.33
Consensus LogP
1.28
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS69152-88-1
- Purity/Analytical method: >99.0%
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