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CAS 864420-54-2 NEDD8 inhibitor M22 molecular structure lightbox
CAS RN: 864420-54-2

NEDD8 inhibitor M22

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250713 25mg / 100mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250831 100mg Out of stock Inquiry
Batchno.20250715 25mg In stock Shanghai Inquiry
Batchno.20251003 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS864420-54-2
  • Purity/Analytical Methods: >99.0%
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864420-54-2 / 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine

Standard CAS: 864420-54-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
864420-54-2
Multi CAS
Yes
Molecular Formula
C20H24CL2N2
Molecular Weight
363.300000
Exact Mass
362.131654
InChI
InChI=1S/C20H24Cl2N2/c21-18-7-6-17(20(22)14-18)8-11-23-19-9-12-24(13-10-19)15-16-4-2-1-3-5-16/h1-7,14,19,23H,8-13,15H2
InChIKey
WMEXQHGRMWPOEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
102.91
TPSA
15.27

LogP / Solubility

WLOGP
4.79
MLOGP
4.23
XLogP3
5.1
Consensus LogP
4.71
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.72
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54

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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