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CAS 2012607-27-9 WNK463 molecular structure lightbox
CAS RN: 2012607-27-9

WNK463

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250326 100mg In stock Shanghai Inquiry
Batchno.20260303 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260406 25mg In stock Shanghai Inquiry
Batchno.20250407 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251024 5mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2012607-27-9
  • Purity/Analytical Methods: >99.0%
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2012607-27-9 / N-tert-butyl-3-[1-[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]piperidin-4-yl]imidazole-4-carboxamide

Standard CAS: 2012607-27-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2012607-27-9
Multi CAS
No
Molecular Formula
C21H24F3N7O2
Molecular Weight
463.500000
Exact Mass
463.194358
SMILES
CC(C)(C)NC(=O)C1=CN=CN1C2CCN(CC2)C3=NC=C(C=C3)C4=NN=C(O4)C(F)(F)F
InChI
InChI=1S/C21H24F3N7O2/c1-20(2,3)27-17(32)15-11-25-12-31(15)14-6-8-30(9-7-14)16-5-4-13(10-26-16)18-28-29-19(33-18)21(22,23)24/h4-5,10-12,14H,6-9H2,1-3H3,(H,27,32)
InChIKey
HWSHOMMVLGBIDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.48
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
112.46
TPSA
101.97

LogP / Solubility

WLOGP
3.72
MLOGP
3.3
XLogP3
2.6
Consensus LogP
3.21
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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