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CAS 169105-01-5 R-(-)-6-hydroxy-1-aminoindan molecular structure lightbox
CAS RN: 169105-01-5

R-(-)-6-hydroxy-1-aminoindan

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250908 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS169105-01-5
  • Purity/Analytical Methods: >99.0%
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169105-01-5 / (3R)-3-amino-2,3-dihydro-1H-inden-5-ol

Standard CAS: 169105-01-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
169105-01-5
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
C1CC2=C([C@@H]1N)C=C(C=C2)O
InChI
InChI=1S/C9H11NO/c10-9-4-2-6-1-3-7(11)5-8(6)9/h1,3,5,9,11H,2,4,10H2/t9-/m1/s1
InChIKey
MOUPGBDOLGDVNW-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.36
TPSA
46.25

LogP / Solubility

WLOGP
1.34
MLOGP
1.17
XLogP3
0.9
Consensus LogP
1.14
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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