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CAS 2310134-98-4 LDN193189 Tetrahydrochloride molecular structure lightbox
CAS RN: 2310134-98-4

LDN193189 Tetrahydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250727 5mg / 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2310134-98-4
  • Purity/Analytical Methods: >99.0%
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2310134-98-4 / 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;tetrahydrochloride

Standard CAS: 2310134-98-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2310134-98-4
Multi CAS
No
Molecular Formula
C25H26Cl4N6
Molecular Weight
552.300000
Exact Mass
552.094356
SMILES
C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3.Cl.Cl.Cl.Cl
InChI
InChI=1S/C25H22N6.4ClH/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;;;;/h1-10,15-17,26H,11-14H2;4*1H
InChIKey
NYHXPFHFIMRKDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
25
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
153.23
TPSA
58.35

LogP / Solubility

WLOGP
5.71
MLOGP
5.07
XLogP3
5.71
Consensus LogP
5.5
Log S (ESOL)
-7.19
Class (ESOL)
Insoluble
Log S (Ali)
-8.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.35
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)
-2.04

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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