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CAS 1598267-75-4 6-Methoxy-4-trifluoromethyl-pyridin-2-ylamine molecular structure lightbox
CAS RN: 1598267-75-4

6-Methoxy-4-trifluoromethyl-pyridin-2-ylamine

  • Product code: SSC-067801
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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 1598267-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1598267-75-4 / 6-methoxy-4-(trifluoromethyl)pyridin-2-amine

Standard CAS: 1598267-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1598267-75-4
Multi CAS
No
Molecular Formula
C7H7F3N2O
Molecular Weight
192.140000
Exact Mass
192.051047
SMILES
COC1=CC(=CC(=N1)N)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c1-13-6-3-4(7(8,9)10)2-5(11)12-6/h2-3H,1H3,(H2,11,12)
InChIKey
DQKXVLZIUVYLLZ-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
3
H-bond donors
1
Molar refractivity
40.2
TPSA
48.14

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.69

Drug-likeness / Medicinal Chemistry

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

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