CAS RN: 7117-18-2
2-Isopropyl-N-methylaniline
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.20250314 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS7117-18-2
- Purity/Analytical Methods: >99.0%
7117-18-2 / N-methyl-2-propan-2-ylaniline
Basic Information
CAS
7117-18-2
Multi CAS
No
Molecular Formula
C10H15N
Molecular Weight
149.230000
Exact Mass
149.120449
InChI
InChI=1S/C10H15N/c1-8(2)9-6-4-5-7-10(9)11-3/h4-8,11H,1-3H3
InChIKey
SRDCXRIXVSRXMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.08
TPSA
12.03
LogP / Solubility
WLOGP
2.85
MLOGP
2.5
XLogP3
2.9
Consensus LogP
2.75
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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