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CAS 475-67-2 ISOCORYDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 475-67-2

ISOCORYDINE HYDROCHLORIDE

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  • Product code: starshine_CAS475-67-2
  • Purity/Analytical Methods: >99.0%
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475-67-2 / (6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

Standard CAS: 475-67-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
475-67-2
Multi CAS
Yes
Molecular Formula
C20H23NO4
Molecular Weight
341.400000
Exact Mass
341.162708
InChI
InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
InChIKey
QELDJEKNFOQJOY-ZDUSSCGKSA-N

Physical Properties

Melting Point
185 °C
Physical Description
Solid
State
Solid

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
95.98
TPSA
51.16

LogP / Solubility

WLOGP
3.17
MLOGP
2.81
XLogP3
2.6
Consensus LogP
2.86
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-2.55

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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