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CAS 38997-97-6 4-Acetylindan molecular structure lightbox
CAS RN: 38997-97-6

4-Acetylindan

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260108 100mg In stock Inquiry
Batchno.20251130 1g In stock Inquiry
Batchno.20250402 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTA2296
  • Purity/Analytical Methods: >98.0%(GC)
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38997-97-6 / 1-(2,3-dihydro-1H-inden-4-yl)ethanone

Standard CAS: 38997-97-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38997-97-6
Multi CAS
Yes
Molecular Formula
C11H12O
Molecular Weight
160.210000
Exact Mass
160.088815
InChI
InChI=1S/C11H12O/c1-8(12)10-6-2-4-9-5-3-7-11(9)10/h2,4,6H,3,5,7H2,1H3
InChIKey
FPHUGFGBPNVMQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.47
TPSA
17.07

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
2.4
Consensus LogP
2.29
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.01

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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