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CAS 81562-78-9 (4AS,8AS)-OCTAHYDRO-ISOQUINOLIN-4A-OL HYDROCHLORIDE molecular structure lightbox
CAS RN: 81562-78-9

(4AS,8AS)-OCTAHYDRO-ISOQUINOLIN-4A-OL HYDROCHLORIDE

  • Product code: SSC-189968
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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: 5g
  • 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 81562-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

81562-78-9 / (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride

Standard CAS: 81562-78-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81562-78-9
Multi CAS
Yes
Molecular Formula
C9H18CLNO
Molecular Weight
191.700000
Exact Mass
191.107692
InChI
InChI=1S/C9H17NO.ClH/c11-9-4-2-1-3-8(9)7-10-6-5-9;/h8,10-11H,1-7H2;1H/t8-,9-;/m0./s1
InChIKey
YPFAFIHBCMTKFM-OZZZDHQUSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.64
TPSA
32.26

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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