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CAS 26673-30-3 5-Chloro-1-tetralone molecular structure lightbox
CAS RN: 26673-30-3

5-Chloro-1-tetralone

  • Product code: SSC-124774
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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: ≥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 26673-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

26673-30-3 / 5-chloro-3,4-dihydro-2H-naphthalen-1-one

Standard CAS: 26673-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26673-30-3
Multi CAS
No
Molecular Formula
C10H9ClO
Molecular Weight
180.630000
Exact Mass
180.034193
SMILES
C1CC2=C(C=CC=C2Cl)C(=O)C1
InChI
InChI=1S/C10H9ClO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2
InChIKey
KCJYJBGXUCXUPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
48.72
TPSA
17.07

LogP / Solubility

WLOGP
2.86
MLOGP
2.51
XLogP3
3.1
Consensus LogP
2.82
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-1.79

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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