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CAS 686725-39-3 WAY-327147 molecular structure lightbox
CAS RN: 686725-39-3

WAY-327147

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250515 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS686725-39-3
  • Purity/Analytical Methods: >99.0%
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686725-39-3 / 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

Standard CAS: 686725-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
686725-39-3
Multi CAS
No
Molecular Formula
C17F3H18N3O3
Molecular Weight
369.340000
Exact Mass
369.130026
InChI
InChI=1S/C17H18F3N3O3/c1-24-13-4-3-11(9-14(13)25-2)12-10-15(17(18,19)20)22-16(21-12)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3
InChIKey
JKHKQIAYPUWKIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
88.61
TPSA
56.71

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
2.8
Consensus LogP
2.83
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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