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CAS 1415108-26-7 7-BROMO-4,4-DIFLUORO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE molecular structure lightbox
CAS RN: 1415108-26-7

7-BROMO-4,4-DIFLUORO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-051817
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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 1415108-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1415108-26-7 / 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-one

Standard CAS: 1415108-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415108-26-7
Multi CAS
No
Molecular Formula
C10H7BrF2O
Molecular Weight
261.060000
Exact Mass
259.964830
SMILES
C1CC(C2=C(C1=O)C=C(C=C2)Br)(F)F
InChI
InChI=1S/C10H7BrF2O/c11-6-1-2-8-7(5-6)9(14)3-4-10(8,12)13/h1-2,5H,3-4H2
InChIKey
ZPJLEKVEBRLIAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
51.6
TPSA
17.07

LogP / Solubility

WLOGP
3.52
MLOGP
3.1
XLogP3
2.9
Consensus LogP
3.17
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-1.82

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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