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CAS 2095677-20-4 eIF4A3-IN-2 molecular structure lightbox
CAS RN: 2095677-20-4

eIF4A3-IN-2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2095677-20-4
  • Purity/Analytical Methods: >99.0%
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2095677-20-4 / (4-bromophenyl)-[(2S)-4-(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)-2-(4-chlorophenyl)piperazin-1-yl]methanone

Standard CAS: 2095677-20-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2095677-20-4
Multi CAS
No
Molecular Formula
C25H19Br2ClN4O2
Molecular Weight
602.700000
Exact Mass
601.954280
SMILES
C1CN([C@H](CN1C(=O)C2=C3C=CC(=CN3N=C2)Br)C4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)Br
InChI
InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1
InChIKey
WKKAVTNXNVPCCN-HSZRJFAPSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
138.17
TPSA
57.92

LogP / Solubility

WLOGP
5.85
MLOGP
5.2
XLogP3
5
Consensus LogP
5.35
Log S (ESOL)
-7.52
Class (ESOL)
Insoluble
Log S (Ali)
-8.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4

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