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CAS 2070014-78-5 PF-2545920 (hydrochloride) molecular structure lightbox
CAS RN: 2070014-78-5

PF-2545920 (hydrochloride)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2070014-78-5
  • Purity/Analytical Methods: >99.0%
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2070014-78-5 / 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline;hydrochloride

Standard CAS: 2070014-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2070014-78-5
Multi CAS
No
Molecular Formula
C25H21ClN4O
Molecular Weight
428.900000
Exact Mass
428.140389
SMILES
CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5.Cl
InChI
InChI=1S/C25H20N4O.ClH/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21;/h2-16H,17H2,1H3;1H
InChIKey
BDHTXAXWOXYUDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
27
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
125.2
TPSA
52.83

LogP / Solubility

WLOGP
5.7
MLOGP
5.04
XLogP3
5.7
Consensus LogP
5.48
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
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)
-1.29

Drug-likeness / Medicinal Chemistry

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

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