![CAS 331243-98-2 4-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/331243-98-2.gif)
CAS RN: 331243-98-2
4-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
- Product code: SSC-139020
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 0.1g, 1g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
331243-98-2 / 4-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
Basic Information
CAS
331243-98-2
Multi CAS
No
Molecular Formula
C15F3H13N2O
Molecular Weight
294.270000
Exact Mass
294.097998
InChI
InChI=1S/C15H13F3N2O/c1-9-7-10(5-6-13(9)19)14(21)20-12-4-2-3-11(8-12)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKey
WWABVVIJPBJWOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.99
TPSA
55.12
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
3.3
Consensus LogP
3.52
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-1.78
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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![CAS 331258-36-7 3-Ethyl 5-Methyl 4-(2-Chlorophenyl)-2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]methyl]-6-methyl-3,5-pyridinedicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/331258-36-7.gif)
