![CAS 66947-32-8 2-[(2,4-dimethylphenyl)amino]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/66947-32-8.gif)
CAS RN: 66947-32-8
2-[(2,4-dimethylphenyl)amino]acetic acid
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.20250130 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS66947-32-8
- Purity/Analytical Methods: >99.0%
66947-32-8 / 2-(2,4-dimethylanilino)acetic acid
Basic Information
CAS
66947-32-8
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
InChI
InChI=1S/C10H13NO2/c1-7-3-4-9(8(2)5-7)11-6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKey
DXBGIBHXQDTRFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.04
TPSA
49.33
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
2.2
Consensus LogP
1.86
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.54
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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