CAS RN: 55577-63-4
PropanaMide, 2-Methyl-N-(2-Methylphenyl)-
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.20250313 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS55577-63-4
- Purity/Analytical Methods: >99.0%
55577-63-4 / 2-methyl-N-(2-methylphenyl)propanamide
Basic Information
CAS
55577-63-4
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
InChI
InChI=1S/C11H15NO/c1-8(2)11(13)12-10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,12,13)
InChIKey
OFPJBYSYCOQOHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.65
TPSA
29.1
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
1.9
Consensus LogP
2.26
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-1.96
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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