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CAS 83344-22-3 3-ACETYL-5-BROMO-8-HYDROXY-3,4-DIHYDRO-2H-1-NAPHTHALENONE molecular structure lightbox
CAS RN: 83344-22-3

3-ACETYL-5-BROMO-8-HYDROXY-3,4-DIHYDRO-2H-1-NAPHTHALENONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-191213
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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: 0.25g
  • 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 83344-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

83344-22-3 / 3-acetyl-5-bromo-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one

Standard CAS: 83344-22-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83344-22-3
Multi CAS
No
Molecular Formula
C12H11BRO3
Molecular Weight
283.120000
Exact Mass
281.989160
InChI
InChI=1S/C12H11BrO3/c1-6(14)7-4-8-9(13)2-3-10(15)12(8)11(16)5-7/h2-3,7,15H,4-5H2,1H3
InChIKey
IUJXLOWSXNDTKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.63
TPSA
54.37

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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