CAS RN: 180207-82-3
Isopropyl-(2-Methyl-6-nitro-phenyl)-aMine
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.20250217 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS180207-82-3
- Purity/Analytical Methods: >99.0%
180207-82-3 / 2-methyl-6-nitro-N-propan-2-ylaniline
Basic Information
CAS
180207-82-3
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])NC(C)C
InChI
InChI=1S/C10H14N2O2/c1-7(2)11-10-8(3)5-4-6-9(10)12(13)14/h4-7,11H,1-3H3
InChIKey
BLVYJMCXKCUHNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.59
TPSA
55.17
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
3.5
Consensus LogP
2.87
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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