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CAS 1823343-09-4 3-Pyridinemethanamine, 6-bromo-4-(trifluoromethyl)- molecular structure lightbox
CAS RN: 1823343-09-4

3-Pyridinemethanamine, 6-bromo-4-(trifluoromethyl)-

  • Product code: SSC-083608
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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 1823343-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1823343-09-4 / [6-bromo-4-(trifluoromethyl)-3-pyridinyl]methanamine

Standard CAS: 1823343-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823343-09-4
Multi CAS
No
Molecular Formula
C7H6BrF3N2
Molecular Weight
255.030000
Exact Mass
253.966650
SMILES
C1=C(C(=CN=C1Br)CN)C(F)(F)F
InChI
InChI=1S/C7H6BrF3N2/c8-6-1-5(7(9,10)11)4(2-12)3-13-6/h1,3H,2,12H2
InChIKey
LEEDEVRSCNKFQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.83
TPSA
38.91

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
1.6
Consensus LogP
1.99
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

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

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