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CAS 852913-53-2 (8a,9s)-10,11-dihydro-6′-Methoxy-cinchonan-9-aMine molecular structure lightbox
CAS RN: 852913-53-2

(8a,9s)-10,11-dihydro-6′-Methoxy-cinchonan-9-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS852913-53-2
  • Purity/Analytical Methods: >99.0%
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852913-53-2 / (S)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanamine

Standard CAS: 852913-53-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
852913-53-2
Multi CAS
Yes
Molecular Formula
C20H27N3O
Molecular Weight
325.400000
Exact Mass
325.215412
InChI
InChI=1S/C20H27N3O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20H,3,7,9-10,12,21H2,1-2H3/t13-,14-,19-,20-/m0/s1
InChIKey
HGVZOZLENNRYCV-FEBSWUBLSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.09
TPSA
51.38

LogP / Solubility

WLOGP
3.36
MLOGP
2.98
XLogP3
2.9
Consensus LogP
3.08
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
8

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