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CAS 52085-99-1 7-CHLORO-1H-INDENE molecular structure lightbox
CAS RN: 52085-99-1

7-CHLORO-1H-INDENE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-159148
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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 52085-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

52085-99-1 / 7-chloro-1H-indene

Standard CAS: 52085-99-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52085-99-1
Multi CAS
No
Molecular Formula
C9H7CL
Molecular Weight
150.600000
Exact Mass
150.023628
InChI
InChI=1S/C9H7Cl/c10-9-6-2-4-7-3-1-5-8(7)9/h1-4,6H,5H2
InChIKey
JELMOBXAHCEEQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Molar refractivity
44.19
TPSA
0.0000

LogP / Solubility

WLOGP
2.91
MLOGP
2.55
XLogP3
3.3
Consensus LogP
2.92
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-1.57

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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