CAS RN: 96096-52-5
N-METHYL-N-ISOPROPYLTRYPTAMINE(MIPT)
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.20260617 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS96096-52-5
- Purity/Analytical Methods: >99.0%
96096-52-5 / N-[2-(1H-indol-3-yl)ethyl]-N-methylpropan-2-amine
Basic Information
CAS
96096-52-5
Multi CAS
No
Molecular Formula
C14H20N2
Molecular Weight
216.320000
Exact Mass
216.162649
InChI
InChI=1S/C14H20N2/c1-11(2)16(3)9-8-12-10-15-14-7-5-4-6-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKey
KTQJVAJLJZIKKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.77
TPSA
19.03
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3.3
Consensus LogP
3.01
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
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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