CAS RN: 402-21-1
N,N”-BIS-(3-TRIFLUOROMETHYL-PHENYL)-MALONAMIDE
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.20260410 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS402-21-1
- Purity/Analytical Methods: >99.0%
402-21-1 / N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide
Basic Information
CAS
402-21-1
Multi CAS
Yes
Molecular Formula
C17F6H12N2O2
Molecular Weight
390.280000
Exact Mass
390.080297
InChI
InChI=1S/C17H12F6N2O2/c18-16(19,20)10-3-1-5-12(7-10)24-14(26)9-15(27)25-13-6-2-4-11(8-13)17(21,22)23/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKey
PLYOBKOGKORFMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.76
TPSA
58.2
LogP / Solubility
WLOGP
4.69
MLOGP
4.15
XLogP3
5
Consensus LogP
4.61
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
4-FLUOROBENZOTRICHLORIDE
- CAS RN: 402-42-6
- Product Code: starshine_CAS402-42-6
- Purity/Analytical method: >99.0%
-
-
-
-
-
