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CAS 1273597-02-6 6-Bromo-7-methyl-3,4-dihydronaphthalen-1(2H)-one molecular structure lightbox
CAS RN: 1273597-02-6

6-Bromo-7-methyl-3,4-dihydronaphthalen-1(2H)-one

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250301 250mg Out of stock Inquiry
  • Product code: SSC-034889
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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 1273597-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1273597-02-6 / 6-bromo-7-methyl-3,4-dihydro-2H-naphthalen-1-one

Standard CAS: 1273597-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1273597-02-6
Multi CAS
No
Molecular Formula
C11H11BrO
Molecular Weight
239.110000
Exact Mass
237.999330
SMILES
CC1=CC2=C(CCCC2=O)C=C1Br
InChI
InChI=1S/C11H11BrO/c1-7-5-9-8(6-10(7)12)3-2-4-11(9)13/h5-6H,2-4H2,1H3
InChIKey
FABYDNGVZLVNEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
Molar refractivity
56.15
TPSA
17.07

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
3.1
Consensus LogP
3.09
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-1.85

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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