CAS RN: 566945-71-9
4-chloro-2-hydroxy-N-methoxy-N-methylbenzamide
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.20250818 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS566945-71-9
- Purity/Analytical Methods: >99.0%
566945-71-9 / 4-chloro-2-hydroxy-N-methoxy-N-methylbenzamide
Basic Information
CAS
566945-71-9
Multi CAS
No
Molecular Formula
C9H10CLNO3
Molecular Weight
215.630000
Exact Mass
215.034921
InChI
InChI=1S/C9H10ClNO3/c1-11(14-2)9(13)7-4-3-6(10)5-8(7)12/h3-5,12H,1-2H3
InChIKey
JKGGNALVUODGML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.22
TPSA
49.77
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
2.3
Consensus LogP
1.82
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.84
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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