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CAS 28596-75-0 6-METHOXY-7-METHYL-2,3-DIHYDRO-1H-INDEN-1-ONE molecular structure lightbox
CAS RN: 28596-75-0

6-METHOXY-7-METHYL-2,3-DIHYDRO-1H-INDEN-1-ONE

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 100mg Out of stock Inquiry
Batchno.20250805 1g Out of stock Inquiry
Batchno.20250622 250mg Out of stock Inquiry
  • Product code: starshine_CAS28596-75-0
  • Purity/Analytical Methods: >99.0%
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28596-75-0 / 6-methoxy-7-methyl-2,3-dihydroinden-1-one

Standard CAS: 28596-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28596-75-0
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
InChI
InChI=1S/C11H12O2/c1-7-10(13-2)6-4-8-3-5-9(12)11(7)8/h4,6H,3,5H2,1-2H3
InChIKey
NDURQBPOPGKULU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.38
TPSA
26.3

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-2.28

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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