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CAS 306301-68-8 Sphingosine Kinase Inhibitor, SKI-I molecular structure lightbox
CAS RN: 306301-68-8

Sphingosine Kinase Inhibitor, SKI-I

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS306301-68-8
  • Purity/Analytical Methods: >99.0%
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306301-68-8 / N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

Standard CAS: 306301-68-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
306301-68-8
Multi CAS
Yes
Molecular Formula
C25H18N4O2
Molecular Weight
406.400000
Exact Mass
406.142976
InChI
InChI=1S/C25H18N4O2/c30-24-12-11-17-6-3-4-8-20(17)21(24)15-26-29-25(31)23-14-22(27-28-23)19-10-9-16-5-1-2-7-18(16)13-19/h1-15,30H,(H,27,28)(H,29,31)
InChIKey
XOXCTLAKMCIWCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
122.2
TPSA
90.37

LogP / Solubility

WLOGP
4.85
MLOGP
4.3
XLogP3
5.3
Consensus LogP
4.82
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble

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)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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