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CAS 356572-08-2 1-Hydroxy-3-amino-5,7-dimethyladamantane hydrochloride molecular structure lightbox
CAS RN: 356572-08-2

1-Hydroxy-3-amino-5,7-dimethyladamantane hydrochloride

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Batchno.20260318 250mg Out of stock Inquiry
  • Product code: starshine_CAS356572-08-2
  • Purity/Analytical Methods: >99.0%
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356572-08-2 / 3-amino-5,7-dimethyladamantan-1-ol;hydrochloride

Standard CAS: 356572-08-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
356572-08-2
Multi CAS
Yes
Molecular Formula
C12H22CLNO
Molecular Weight
231.760000
Exact Mass
231.138992
InChI
InChI=1S/C12H21NO.ClH/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10;/h14H,3-8,13H2,1-2H3;1H
InChIKey
VSLXJPGBEIWMTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.03
TPSA
46.25

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.23
Consensus LogP
2.14
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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