CAS RN: 22306-05-4
TRIPELENNAMINE HYDROCHLORIDE
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.20260130 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22306-05-4
- Purity/Analytical Methods: >99.0%
22306-05-4 / N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
Basic Information
CAS
22306-05-4
Multi CAS
No
Molecular Formula
C16H22ClN3
Molecular Weight
291.820000
Exact Mass
291.150225
SMILES
CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.Cl
InChI
InChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
InChIKey
FSSICIQKZGUEAE-UHFFFAOYSA-N
Physical Properties
Melting Point
378.5 to 380.3 °F (NTP, 1992)
Physical Description
Tripelenamine hydrochloride appears as odorless white crystalline powder or solid. Bitter taste. Solutions are neutral to litmus. pH of aqueous solution (25 mg/mL): 6.71. pH of aqueous solution (50 mg/mL): 6.67. pH of aqueous solution (100 mg/mL): 5.56. (NTP, 1992)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.53
TPSA
19.37
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3.07
Consensus LogP
2.95
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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