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CAS 58926-60-6 2-Ethyl-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one molecular structure lightbox
CAS RN: 58926-60-6

2-Ethyl-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251121 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS58926-60-6
  • Purity/Analytical Methods: >99.0%
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58926-60-6 / 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Standard CAS: 58926-60-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58926-60-6
Multi CAS
Yes
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
InChI
InChI=1S/C15H16O3/c1-2-9-7-12-10-5-3-4-6-11(10)15(17)18-14(12)8-13(9)16/h7-8,16H,2-6H2,1H3
InChIKey
ULRCJDZFIIRZIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.17
TPSA
50.44

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
3.3
Consensus LogP
2.94
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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