CAS RN: 22978-49-0
2,2”-DIMETHYLBENZANILIDE
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.20250216 | 1g / 5g / 10g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS22978-49-0
- Purity/Analytical Methods: >99.0%
22978-49-0 / 2-methyl-N-(2-methylphenyl)benzamide
Basic Information
CAS
22978-49-0
Multi CAS
No
Molecular Formula
C15H15NO
Molecular Weight
225.280000
Exact Mass
225.115364
SMILES
CC1=CC=CC=C1C(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C15H15NO/c1-11-7-3-5-9-13(11)15(17)16-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,16,17)
InChIKey
KBOSBZUAAMLSFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.31
TPSA
29.1
LogP / Solubility
WLOGP
3.56
MLOGP
3.13
XLogP3
3.3
Consensus LogP
3.33
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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