CAS RN: 63333-32-4
N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
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.20260227 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS63333-32-4
- Purity/Analytical Methods: >99.0%
63333-32-4 / N-methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
Basic Information
CAS
63333-32-4
Multi CAS
Yes
Molecular Formula
C14F3H10N3O4
Molecular Weight
341.240000
Exact Mass
341.062340
InChI
InChI=1S/C14H10F3N3O4/c1-18(9-5-3-2-4-6-9)13-11(14(15,16)17)7-10(19(21)22)8-12(13)20(23)24/h2-8H,1H3
InChIKey
JYCNXMMTVIAGJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
79.26
TPSA
89.52
LogP / Solubility
WLOGP
4.29
MLOGP
3.79
XLogP3
4.1
Consensus LogP
4.06
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
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
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