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CAS 784-57-6 3-AMINO-4-(4-MORPHOLINO)BENZOTRIFLUORIDE molecular structure lightbox
CAS RN: 784-57-6

3-AMINO-4-(4-MORPHOLINO)BENZOTRIFLUORIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260407 1g In stock Inquiry
Batchno.20251229 250mg In stock Inquiry
Batchno.20250907 5g In stock Inquiry
  • Product code: SSC-187810
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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: 5g
  • Available purity: ≥97%
  • 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 784-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

784-57-6 / 2-morpholin-4-yl-5-(trifluoromethyl)aniline

Standard CAS: 784-57-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
784-57-6
Multi CAS
Yes
Molecular Formula
C11F3H13N2O
Molecular Weight
246.230000
Exact Mass
246.097998
InChI
InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2
InChIKey
CNVOJNRNRNAOOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.89
TPSA
38.49

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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