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CAS 328107-22-8 3-AMINO-N-(3-TRIFLUOROMETHYL-PHENYL)-BENZAMIDE molecular structure lightbox
CAS RN: 328107-22-8

3-AMINO-N-(3-TRIFLUOROMETHYL-PHENYL)-BENZAMIDE

  • Product code: SSC-138539
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 328107-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

328107-22-8 / 3-amino-N-[3-(trifluoromethyl)phenyl]benzamide

Standard CAS: 328107-22-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
328107-22-8
Multi CAS
Yes
Molecular Formula
C14F3H11N2O
Molecular Weight
280.240000
Exact Mass
280.082347
InChI
InChI=1S/C14H11F3N2O/c15-14(16,17)10-4-2-6-12(8-10)19-13(20)9-3-1-5-11(18)7-9/h1-8H,18H2,(H,19,20)
InChIKey
QGTCNXNNPZMXFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.25
TPSA
55.12

LogP / Solubility

WLOGP
3.54
MLOGP
3.12
XLogP3
3.5
Consensus LogP
3.39
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
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)
-1.92

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
1.5

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