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CAS 1651890-44-6 Pyridoclax molecular structure lightbox
CAS RN: 1651890-44-6

Pyridoclax

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1651890-44-6
  • Purity/Analytical Methods: >99.0%
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1651890-44-6 / 2-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine

Standard CAS: 1651890-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1651890-44-6
Multi CAS
No
Molecular Formula
C29H22N4
Molecular Weight
426.500000
Exact Mass
426.184447
SMILES
CC1=CC(=CN=C1C2=CN=CC=C2)C3=C(C=C(C=N3)C4=CN=CC=C4)/C=C/C5=CC=CC=C5
InChI
InChI=1S/C29H22N4/c1-21-15-27(20-32-28(21)25-10-6-14-31-18-25)29-23(12-11-22-7-3-2-4-8-22)16-26(19-33-29)24-9-5-13-30-17-24/h2-20H,1H3/b12-11+
InChIKey
WGGSYXQFYRWBEC-VAWYXSNFSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
30
Fraction Csp3
0.03
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
134.04
TPSA
51.56

LogP / Solubility

WLOGP
6.75
MLOGP
5.96
XLogP3
5.2
Consensus LogP
5.97
Log S (ESOL)
-7.08
Class (ESOL)
Insoluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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