CAS RN: 855860-75-2
N-(4-aMinophenyl)-2-chloro-N-MethylacetaMide
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.20250509 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS855860-75-2
- Purity/Analytical Methods: >99.0%
855860-75-2 / N-(4-aminophenyl)-2-chloro-N-methylacetamide
Basic Information
CAS
855860-75-2
Multi CAS
No
Molecular Formula
C9H11CLN2O
Molecular Weight
198.650000
Exact Mass
198.055991
InChI
InChI=1S/C9H11ClN2O/c1-12(9(13)6-10)8-4-2-7(11)3-5-8/h2-5H,6,11H2,1H3
InChIKey
QEIHSYGISQYKFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.98
TPSA
46.33
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.2
Consensus LogP
1.32
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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