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CAS 19716-59-7 8-oxoypalMatine molecular structure lightbox
CAS RN: 19716-59-7

8-oxoypalMatine

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2 package records0 with current stock2 grade groups
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Batchno.20250929 10mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS19716-59-7
  • Purity/Analytical Methods: >99.0%
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19716-59-7 / 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one

Standard CAS: 19716-59-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19716-59-7
Multi CAS
No
Molecular Formula
C21H21NO5
Molecular Weight
367.400000
Exact Mass
367.141973
SMILES
COC1=C(C2=C(C=C1)C=C3C4=CC(=C(C=C4CCN3C2=O)OC)OC)OC
InChI
InChI=1S/C21H21NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,9-11H,7-8H2,1-4H3
InChIKey
MZIUUCTTWZPXOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
103.56
TPSA
58.92

LogP / Solubility

WLOGP
3.26
MLOGP
2.89
XLogP3
3.1
Consensus LogP
3.08
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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