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CAS 2108850-14-0 (4-Aminobicyclo[2.2.2]octan-1-yl)methanol hydrochloride molecular structure lightbox
CAS RN: 2108850-14-0

(4-Aminobicyclo[2.2.2]octan-1-yl)methanol hydrochloride

  • Product code: SSC-100541
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2108850-14-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

2108850-14-0 / (4-amino-1-bicyclo[2.2.2]octanyl)methanol;hydrochloride

Standard CAS: 2108850-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2108850-14-0
Multi CAS
No
Molecular Formula
C9H18ClNO
Molecular Weight
191.700000
Exact Mass
191.107692
SMILES
C1CC2(CCC1(CC2)CO)N.Cl
InChI
InChI=1S/C9H17NO.ClH/c10-9-4-1-8(7-11,2-5-9)3-6-9;/h11H,1-7,10H2;1H
InChIKey
GPYDJOAKGIWFSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.39
TPSA
46.25

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.45
Consensus LogP
1.39
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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