CAS RN: 78235-07-1
N-Isopropyl-2-chloroaniline
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.20250514 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS78235-07-1
- Purity/Analytical Methods: >99.0%
78235-07-1 / 2-chloro-N-propan-2-ylaniline
Basic Information
CAS
78235-07-1
Multi CAS
No
Molecular Formula
C9H12CLN
Molecular Weight
169.650000
Exact Mass
169.065827
InChI
InChI=1S/C9H12ClN/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,11H,1-2H3
InChIKey
JCRMYLUIMGTZSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.21
TPSA
12.03
LogP / Solubility
WLOGP
3.16
MLOGP
2.78
XLogP3
3.3
Consensus LogP
3.08
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-1.51
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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