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CAS 360-60-1 2,3-Diaminobenzotrifluoride 97% molecular structure lightbox
CAS RN: 360-60-1

2,3-Diaminobenzotrifluoride 97%

  • Product code: SSC-143094
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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: 1g
  • 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 360-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

360-60-1 / 3-(trifluoromethyl)benzene-1,2-diamine

Standard CAS: 360-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
360-60-1
Multi CAS
No
Molecular Formula
C7F3H7N2
Molecular Weight
176.140000
Exact Mass
176.056133
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)4-2-1-3-5(11)6(4)12/h1-3H,11-12H2
InChIKey
PQFRTJPVZSPBFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.27
TPSA
52.04

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
1.4
Consensus LogP
1.64
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-2.47

Drug-likeness / Medicinal Chemistry

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

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