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CAS 522-30-5 Norsanguinarine molecular structure lightbox
CAS RN: 522-30-5

Norsanguinarine

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  • Product code: starshine_CAS522-30-5
  • Purity/Analytical Methods: >99.0%
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522-30-5 / 5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene

Standard CAS: 522-30-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
522-30-5
Multi CAS
Yes
Molecular Formula
C19H11NO4
Molecular Weight
317.300000
Exact Mass
317.068808
InChI
InChI=1S/C19H11NO4/c1-2-12-11-3-4-15-19(24-9-21-15)14(11)7-20-18(12)13-6-17-16(5-10(1)13)22-8-23-17/h1-7H,8-9H2
InChIKey
CNXVDVMAYXLWPD-UHFFFAOYSA-N

Physical Properties

Melting Point
285 - 287 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.11
H-bond acceptors
5
Molar refractivity
89
TPSA
49.81

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
4.3
Consensus LogP
3.94
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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