CAS RN: 937621-93-7
5-chloro-2-isopropoxyaniline
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.20260316 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS937621-93-7
- Purity/Analytical Methods: >99.0%
937621-93-7 / 5-chloro-2-propan-2-yloxyaniline
Basic Information
CAS
937621-93-7
Multi CAS
No
Molecular Formula
C9H12CLNO
Molecular Weight
185.650000
Exact Mass
185.060742
InChI
InChI=1S/C9H12ClNO/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6H,11H2,1-2H3
InChIKey
OGKCLQAJNTXVQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.63
TPSA
35.25
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-1.93
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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