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CAS 1228898-19-8 2-AMINO-3-METHOXY-6-(TRIFLUOROMETHYL)PYRIDINE molecular structure lightbox
CAS RN: 1228898-19-8

2-AMINO-3-METHOXY-6-(TRIFLUOROMETHYL)PYRIDINE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 100mg In stock Shanghai Inquiry
Batchno.20250618 1g In stock Shanghai Inquiry
Batchno.20250821 250mg In stock Shanghai Inquiry
Batchno.20250915 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1228898-19-8
  • Purity/Analytical Methods: >99.0%
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1228898-19-8 / 3-methoxy-6-(trifluoromethyl)pyridin-2-amine

Standard CAS: 1228898-19-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228898-19-8
Multi CAS
No
Molecular Formula
C7H7F3N2O
Molecular Weight
192.140000
Exact Mass
192.051047
SMILES
COC1=C(N=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C7H7F3N2O/c1-13-4-2-3-5(7(8,9)10)12-6(4)11/h2-3H,1H3,(H2,11,12)
InChIKey
QJNNGFVHYBGJCI-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
1.4
Consensus LogP
1.53
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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