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CAS 1334376-69-0 7-fluoro-2-methyl-1-indanone molecular structure lightbox
CAS RN: 1334376-69-0

7-fluoro-2-methyl-1-indanone

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250302 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS1334376-69-0
  • Purity/Analytical Methods: >99.0%
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1334376-69-0 / 7-fluoro-2-methyl-2,3-dihydroinden-1-one

Standard CAS: 1334376-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1334376-69-0
Multi CAS
No
Molecular Formula
C10H9FO
Molecular Weight
164.180000
Exact Mass
164.063743
SMILES
CC1CC2=C(C1=O)C(=CC=C2)F
InChI
InChI=1S/C10H9FO/c1-6-5-7-3-2-4-8(11)9(7)10(6)12/h2-4,6H,5H2,1H3
InChIKey
CMEXIKGCAMVPBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
43.6
TPSA
17.07

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
2.3
Consensus LogP
2.14
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.16

Drug-likeness / Medicinal Chemistry

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

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