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CAS 1092348-26-9 5-Chloro-7-fluoro-3,4-dihydronaphthalen-1(2H)-one molecular structure lightbox
CAS RN: 1092348-26-9

5-Chloro-7-fluoro-3,4-dihydronaphthalen-1(2H)-one

  • Product code: SSC-010343
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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: ＞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 1092348-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1092348-26-9 / 5-chloro-7-fluoro-3,4-dihydro-2H-naphthalen-1-one

5-Chloro-7-fluoro-3,4-dihydronaphthalen-1(2H)-one | 5-Chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-one | MFCD11518686

Standard CAS: 1092348-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092348-26-9
Multi CAS
No
Molecular Formula
C10H8ClFO
Molecular Weight
198.620000
Exact Mass
198.024771
SMILES
C1CC2=C(C=C(C=C2Cl)F)C(=O)C1
InChI
InChI=1S/C10H8ClFO/c11-9-5-6(12)4-8-7(9)2-1-3-10(8)13/h4-5H,1-3H2
InChIKey
WHLBPEHNNPKLEE-UHFFFAOYSA-N
Synonyms
5-Chloro-7-fluoro-3,4-dihydronaphthalen-1(2H)-one 5-Chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-one MFCD11518686 5-chloro-7-fluoro-3,4-dihydro-2H-naphthalen-1-one SCHEMBL24543321

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
48.68
TPSA
17.07

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-1.8

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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