CAS RN: 5469-94-3
p-malonotoluidide
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.20250425 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5469-94-3
- Purity/Analytical Methods: >99.0%
5469-94-3 / N,N'-bis(4-methylphenyl)propanediamide
Basic Information
CAS
5469-94-3
Multi CAS
Yes
Molecular Formula
C17H18N2O2
Molecular Weight
282.340000
Exact Mass
282.136828
InChI
InChI=1S/C17H18N2O2/c1-12-3-7-14(8-4-12)18-16(20)11-17(21)19-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
CIGKFIJIRVGTGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.23
TPSA
58.2
LogP / Solubility
WLOGP
3.27
MLOGP
2.89
XLogP3
3.9
Consensus LogP
3.35
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
6-Chloro-9-phenyl-9H-purine
- CAS RN: 5470-24-6
- Product Code: starshine_CAS5470-24-6
- Purity/Analytical method: >99.0%
-
-
-
-
-
