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CAS 15071-56-4 5-Methoxycanthinone molecular structure lightbox
CAS RN: 15071-56-4

5-Methoxycanthinone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250103 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS15071-56-4
  • Purity/Analytical Methods: >99.0%
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15071-56-4 / 3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

Standard CAS: 15071-56-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
15071-56-4
Multi CAS
No
Molecular Formula
C15H10N2O2
Molecular Weight
250.250000
Exact Mass
250.074228
SMILES
COC1=CC2=NC=CC3=C2N(C1=O)C4=CC=CC=C34
InChI
InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3
InChIKey
TXEFUSAHPIYZHD-UHFFFAOYSA-N

Physical Properties

Melting Point
243 - 244 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
74.21
TPSA
43.6

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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