CAS RN: 483-34-1

(S)-Isocorypalmine

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5 package records2 with current stock2 grade groups
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Batchno.20260426 1mg Out of stock 30 business days Inquiry
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  • Product code: starshine_CAS483-34-1
  • Purity/Analytical Methods: >99.0%
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483-34-1 / 3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol

Standard CAS: 483-34-1 Multi CAS: Yes

Basic Information

CAS
483-34-1
Multi CAS
Yes
Molecular Formula
C20H23NO4
Molecular Weight
341.400000
Exact Mass
341.162708
InChI
InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3
InChIKey
KDFKJOFJHSVROC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
94.76
TPSA
51.16

LogP / Solubility

WLOGP
3.07
MLOGP
2.72
XLogP3
2.9
Consensus LogP
2.9
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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