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CAS 354532-49-3 (9R)-9-amine-10,11-dihydro-Cinchonan molecular structure lightbox
CAS RN: 354532-49-3

(9R)-9-amine-10,11-dihydro-Cinchonan

  • Product code: SSC-142458
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 354532-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

354532-49-3 / (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanamine

Standard CAS: 354532-49-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
354532-49-3
Multi CAS
Yes
Molecular Formula
C19H25N3
Molecular Weight
295.400000
Exact Mass
295.204848
InChI
InChI=1S/C19H25N3/c1-2-13-12-22-10-8-14(13)11-18(22)19(20)16-7-9-21-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19H,2,8,10-12,20H2,1H3/t13-,14-,18+,19+/m0/s1
InChIKey
FICGKKWNGWEQKW-YXUGBTPSSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
90.54
TPSA
42.15

LogP / Solubility

WLOGP
3.36
MLOGP
2.96
XLogP3
2.7
Consensus LogP
3.01
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

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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