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CAS 480-90-0 1H-Inden-1-one molecular structure lightbox
CAS RN: 480-90-0

1H-Inden-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS480-90-0
  • Purity/Analytical Methods: >99.0%
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480-90-0 / inden-1-one

Standard CAS: 480-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
480-90-0
Multi CAS
No
Molecular Formula
C9H6O
Molecular Weight
130.140000
Exact Mass
130.041865
InChI
InChI=1S/C9H6O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-6H
InChIKey
SNWQUNCRDLUDEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
39.81
TPSA
17.07

LogP / Solubility

WLOGP
1.9
MLOGP
1.66
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.17

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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