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CAS 15115-59-0 4-CHLORO-INDAN-1-ONE molecular structure lightbox
CAS RN: 15115-59-0

4-CHLORO-INDAN-1-ONE

  • Product code: SSC-061032
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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: 10g, 25g, 100g
  • 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 15115-59-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

15115-59-0 / 4-chloro-2,3-dihydroinden-1-one

Standard CAS: 15115-59-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15115-59-0
Multi CAS
No
Molecular Formula
C9H7ClO
Molecular Weight
166.600000
Exact Mass
166.018543
SMILES
C1CC(=O)C2=C1C(=CC=C2)Cl
InChI
InChI=1S/C9H7ClO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKey
MYCZDIIPHIGLCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
Molar refractivity
44.1
TPSA
17.07

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
2.3
Consensus LogP
2.31
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-1.98

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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