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CAS 142678-92-0 (1R,2S)-2-Amino-2,3-dihydro-1H-inden-1-ol molecular structure lightbox
CAS RN: 142678-92-0

(1R,2S)-2-Amino-2,3-dihydro-1H-inden-1-ol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS142678-92-0
  • Purity/Analytical Methods: >99.0%
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142678-92-0 / (1R,2S)-2-amino-2,3-dihydro-1H-inden-1-ol

Standard CAS: 142678-92-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142678-92-0
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
C1[C@@H]([C@@H](C2=CC=CC=C21)O)N
InChI
InChI=1S/C9H11NO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5,10H2/t8-,9+/m0/s1
InChIKey
HRWCWYGWEVVDLT-DTWKUNHWSA-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
43.08
TPSA
46.25

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
0.5
Consensus LogP
0.54
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
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)
-3.2

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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