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CAS 881190-95-0 7-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-one molecular structure lightbox
CAS RN: 881190-95-0

7-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-one

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251223 100mg In stock Shanghai Inquiry
Batchno.20251109 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20251229 1g In stock Shanghai Inquiry
Batchno.20251010 250mg In stock Shanghai Inquiry
  • Product code: SSC-198593
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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 881190-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

881190-95-0 / 7-chloro-6-fluoro-2,3-dihydroinden-1-one

Standard CAS: 881190-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881190-95-0
Multi CAS
No
Molecular Formula
C9H6CLFO
Molecular Weight
184.590000
Exact Mass
184.009121
InChI
InChI=1S/C9H6ClFO/c10-9-6(11)3-1-5-2-4-7(12)8(5)9/h1,3H,2,4H2
InChIKey
STNPXHSEDNMJFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
Molar refractivity
44.06
TPSA
17.07

LogP / Solubility

WLOGP
2.61
MLOGP
2.29
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-1.99

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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