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CAS 52397-81-6 4 6-DICHLORO-1-INDANONE 97 molecular structure lightbox
CAS RN: 52397-81-6

4 6-DICHLORO-1-INDANONE 97

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250714 10g In stock Inquiry
Batchno.20250126 1g In stock Inquiry
Batchno.20260516 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 100g Out of stock Inquiry
Batchno.20250204 10g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260113 1g In stock Shanghai Inquiry
Batchno.20260319 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251231 25g In stock Tianjin, Wuhan Inquiry
Batchno.20250510 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-159493
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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: 5g
  • Available purity: ＞97%
  • 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 52397-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

52397-81-6 / 4,6-dichloro-2,3-dihydroinden-1-one

Standard CAS: 52397-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52397-81-6
Multi CAS
Yes
Molecular Formula
C9H6CL2O
Molecular Weight
201.050000
Exact Mass
199.979570
InChI
InChI=1S/C9H6Cl2O/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4H,1-2H2
InChIKey
BIGNWTAXBIQGAZ-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
49.11
TPSA
17.07

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
2.9
Consensus LogP
2.92
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-1.73

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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