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CAS 113075-86-8 6,8-Dichloro-2-tetralone molecular structure lightbox
CAS RN: 113075-86-8

6,8-Dichloro-2-tetralone

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250405 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260309 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260611 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251012 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250407 5g In stock Shenzhen Inquiry
  • Product code: SSC-013261
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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 113075-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

113075-86-8 / 6,8-dichloro-3,4-dihydro-1H-naphthalen-2-one

6,8-dichloro-2-tetralone | 6,8-DICHLORO-3,4-DIHYDRONAPHTHALEN-2(1H)-ONE | 6,8-dichloro-3,4-dihydro-1H-naphthalen-2-one

Standard CAS: 113075-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113075-86-8
Multi CAS
No
Molecular Formula
C10H8Cl2O
Molecular Weight
215.070000
Exact Mass
213.995220
SMILES
C1CC2=C(CC1=O)C(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H8Cl2O/c11-7-3-6-1-2-8(13)5-9(6)10(12)4-7/h3-4H,1-2,5H2
InChIKey
MKIJLGJYMAVHPA-UHFFFAOYSA-N
Synonyms
6,8-dichloro-2-tetralone 6,8-DICHLORO-3,4-DIHYDRONAPHTHALEN-2(1H)-ONE 6,8-dichloro-3,4-dihydro-1H-naphthalen-2-one MFCD05663017 6,8-dichloro-1,2,3,4-tetrahydronaphthalen-2-one

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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