CAS RN: 74533-76-9
BenzenepropanaMide, 4-Methyl-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260520 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS74533-76-9
- Purity/Analytical Methods: >99.0%
74533-76-9 / 3-(4-methylphenyl)propanamide
Basic Information
CAS
74533-76-9
Multi CAS
No
Molecular Formula
C10H13NO
Molecular Weight
163.220000
Exact Mass
163.099714
InChI
InChI=1S/C10H13NO/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12)
InChIKey
BHWJZDSUDHTMOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.69
TPSA
43.09
LogP / Solubility
WLOGP
1.41
MLOGP
1.24
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.25
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)
-2.71
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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