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CAS 1661020-92-3 MW-150 molecular structure lightbox
CAS RN: 1661020-92-3

MW-150

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1661020-92-3
  • Purity/Analytical Methods: >99.0%
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1661020-92-3 / 6-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine;dihydrate;dihydrochloride

Standard CAS: 1661020-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1661020-92-3
Multi CAS
No
Molecular Formula
C24H29Cl2N5O2
Molecular Weight
490.400000
Exact Mass
489.169831
SMILES
CN1CCN(CC1)C2=NN=C(C(=C2)C3=CC=NC=C3)C4=CC5=CC=CC=C5C=C4.O.O.Cl.Cl
InChI
InChI=1S/C24H23N5.2ClH.2H2O/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21;;;;/h2-11,16-17H,12-15H2,1H3;2*1H;2*1H2
InChIKey
URBRIDWUCWBFOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
4
Molar refractivity
139.64
TPSA
108.15

LogP / Solubility

WLOGP
3.3
MLOGP
2.94
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

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

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