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CAS 101219-61-8 4-Hydroxycanthin-6-one molecular structure lightbox
CAS RN: 101219-61-8

4-Hydroxycanthin-6-one

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Batchno.20260622 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS101219-61-8
  • Purity/Analytical Methods: >99.0%
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101219-61-8 / 4-hydroxy-3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

Picrasidine Q | 4-hydroxy-3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one | 4-hydroxy-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: 101219-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101219-61-8
Multi CAS
Yes
Molecular Formula
C15H10N2O3
Molecular Weight
266.250000
Exact Mass
266.069142
SMILES
COC1=C(C2=NC=CC3=C2N(C1=O)C4=CC=CC=C34)O
InChI
InChI=1S/C15H10N2O3/c1-20-14-13(18)11-12-9(6-7-16-11)8-4-2-3-5-10(8)17(12)15(14)19/h2-7,18H,1H3
InChIKey
HJFNTSGIQCFHGP-UHFFFAOYSA-N
Synonyms
Picrasidine Q 4-hydroxy-3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one 4-hydroxy-3-methoxy-1,6-diazatetracyclo(7.6.1.05,16.010,15)hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one RefChem:174186 Pacrasidine Q

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
75.88
TPSA
63.83

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2
Consensus LogP
2.02
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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