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CAS 5408-46-8 1-Hydroxy-7,8,9,10-tetrahydro-6H-dibenzo[c,h]chromen-6-one molecular structure lightbox
CAS RN: 5408-46-8

1-Hydroxy-7,8,9,10-tetrahydro-6H-dibenzo[c,h]chromen-6-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS5408-46-8
  • Purity/Analytical Methods: >99.0%
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5408-46-8 / 1-hydroxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one

Standard CAS: 5408-46-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5408-46-8
Multi CAS
Yes
Molecular Formula
C17H14O3
Molecular Weight
266.290000
Exact Mass
266.094294
InChI
InChI=1S/C17H14O3/c18-15-7-3-6-12-11(15)8-9-13-10-4-1-2-5-14(10)17(19)20-16(12)13/h3,6-9,18H,1-2,4-5H2
InChIKey
RJMGRGVAXQHCTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.24
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.3
TPSA
50.44

LogP / Solubility

WLOGP
3.53
MLOGP
3.11
XLogP3
3.7
Consensus LogP
3.45
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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