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CAS 479-50-5 lucanthone molecular structure lightbox
CAS RN: 479-50-5

lucanthone

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250821 5mg / 25mg / 50mg / 100mg Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251101 25mg Out of stock Inquiry
Batchno.20250513 50mg Out of stock Inquiry
  • Product code: starshine_CAS479-50-5
  • Purity/Analytical Methods: >99.0%
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479-50-5 / 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one

Standard CAS: 479-50-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
479-50-5
Multi CAS
No
Molecular Formula
C20H24N2OS
Molecular Weight
340.500000
Exact Mass
340.160935
InChI
InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3
InChIKey
FBQPGGIHOFZRGH-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
106.62
TPSA
32.34

LogP / Solubility

WLOGP
4.48
MLOGP
3.96
XLogP3
4
Consensus LogP
4.15
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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