CAS RN: 86569-49-5
N-(2-amino-4-chlorophenyl)-2-methylpropanamide
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.20260619 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS86569-49-5
- Purity/Analytical Methods: >99.0%
86569-49-5 / N-(2-amino-4-chlorophenyl)-2-methylpropanamide
Basic Information
CAS
86569-49-5
Multi CAS
No
Molecular Formula
C10H13CLN2O
Molecular Weight
212.670000
Exact Mass
212.071641
InChI
InChI=1S/C10H13ClN2O/c1-6(2)10(14)13-9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKey
YCXWEZUJLYFKCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.33
TPSA
55.12
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2.4
Consensus LogP
2.38
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS86580-33-8
- Purity/Analytical method: >99.0%
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