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CAS 1003048-68-7 7-(Trifluoromethyl)-1-indanone molecular structure lightbox
CAS RN: 1003048-68-7

7-(Trifluoromethyl)-1-indanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-000804
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1003048-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1003048-68-7 / 7-(trifluoromethyl)-2,3-dihydroinden-1-one

7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-one | 7-(Trifluoromethyl)-1-indanone | 7-(trifluoromethyl)-2,3-dihydroinden-1-one

Standard CAS: 1003048-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1003048-68-7
Multi CAS
No
Molecular Formula
C10H7F3O
Molecular Weight
200.160000
Exact Mass
200.044899
SMILES
C1CC(=O)C2=C1C=CC=C2C(F)(F)F
InChI
InChI=1S/C10H7F3O/c11-10(12,13)7-3-1-2-6-4-5-8(14)9(6)7/h1-3H,4-5H2
InChIKey
RHHGHWBHOQXKNZ-UHFFFAOYSA-N
Synonyms
7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-one 7-(Trifluoromethyl)-1-indanone 7-(trifluoromethyl)-2,3-dihydroinden-1-one MFCD11040251 7-(trifluoromethyl)indan-1-one

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
44.1
TPSA
17.07

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
2.5
Consensus LogP
2.61
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-1.93

Drug-likeness / Medicinal Chemistry

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

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