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CAS 19716-66-6 Pseudopalmatine molecular structure lightbox
CAS RN: 19716-66-6

Pseudopalmatine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260612 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS19716-66-6
  • Purity/Analytical Methods: >99.0%
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19716-66-6 / 2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Standard CAS: 19716-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19716-66-6
Multi CAS
No
Molecular Formula
C21H22NO4+
Molecular Weight
352.400000
Exact Mass
352.154883
SMILES
COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC(=C(C=C4C=C23)OC)OC)OC
InChI
InChI=1S/C21H22NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h7-12H,5-6H2,1-4H3/q+1
InChIKey
CLFBXKHKECKSQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
99.49
TPSA
40.8

LogP / Solubility

WLOGP
3.38
MLOGP
3
XLogP3
3.7
Consensus LogP
3.36
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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)
-2.47

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
3

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