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CAS 17556-22-8 6,7-Dichloro-2-tetralone molecular structure lightbox
CAS RN: 17556-22-8

6,7-Dichloro-2-tetralone

  • Product code: SSC-077022
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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 17556-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

17556-22-8 / 6,7-dichloro-3,4-dihydro-1H-naphthalen-2-one

Standard CAS: 17556-22-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17556-22-8
Multi CAS
No
Molecular Formula
C10H8Cl2O
Molecular Weight
215.070000
Exact Mass
213.995220
SMILES
C1CC2=CC(=C(C=C2CC1=O)Cl)Cl
InChI
InChI=1S/C10H8Cl2O/c11-9-4-6-1-2-8(13)3-7(6)5-10(9)12/h4-5H,1-3H2
InChIKey
BEZIJCXXAGNMFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
53.49
TPSA
17.07

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.9
Consensus LogP
2.88
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-1.87

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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