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CAS 1590-25-6 1-(6-Bromonaphthalen-2-yl)ethanone molecular structure lightbox
CAS RN: 1590-25-6

1-(6-Bromonaphthalen-2-yl)ethanone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260611 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
  • Product code: SSC-067132
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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: 5g
  • 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 1590-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1590-25-6 / 1-(6-bromonaphthalen-2-yl)ethanone

Standard CAS: 1590-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1590-25-6
Multi CAS
No
Molecular Formula
C12H9BrO
Molecular Weight
249.100000
Exact Mass
247.983680
SMILES
CC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br
InChI
InChI=1S/C12H9BrO/c1-8(14)9-2-3-11-7-12(13)5-4-10(11)6-9/h2-7H,1H3
InChIKey
UZDOTHVVSQOCJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
61.65
TPSA
17.07

LogP / Solubility

WLOGP
3.8
MLOGP
3.35
XLogP3
3.5
Consensus LogP
3.55
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

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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