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CAS 53568-05-1 8-Hydroxy-2-tetralone molecular structure lightbox
CAS RN: 53568-05-1

8-Hydroxy-2-tetralone

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250331 200mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS53568-05-1
  • Purity/Analytical Methods: >99.0%
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53568-05-1 / 8-hydroxy-3,4-dihydro-1H-naphthalen-2-one

Standard CAS: 53568-05-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53568-05-1
Multi CAS
Yes
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
InChI
InChI=1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-3,12H,4-6H2
InChIKey
NDUSBJBOSIRESA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.14
TPSA
37.3

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
1.2
Consensus LogP
1.31
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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
1.5

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