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CAS 175354-56-0 2-Methoxy-6-trifluoroMethyl-3H-pyriMidin-4-one molecular structure lightbox
CAS RN: 175354-56-0

2-Methoxy-6-trifluoroMethyl-3H-pyriMidin-4-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260209 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS175354-56-0
  • Purity/Analytical Methods: >99.0%
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175354-56-0 / 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one

Standard CAS: 175354-56-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175354-56-0
Multi CAS
No
Molecular Formula
C6H5F3N2O2
Molecular Weight
194.110000
Exact Mass
194.030312
SMILES
COC1=NC(=CC(=O)N1)C(F)(F)F
InChI
InChI=1S/C6H5F3N2O2/c1-13-5-10-3(6(7,8)9)2-4(12)11-5/h2H,1H3,(H,10,11,12)
InChIKey
ILOOCRYHYUMTKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.41
TPSA
54.98

LogP / Solubility

WLOGP
0.8
MLOGP
0.7
XLogP3
0.6
Consensus LogP
0.7
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-3.34

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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