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CAS 1204-21-3 2-BROMO-2′,5′-DIMETHOXYACETOPHENONE molecular structure lightbox
CAS RN: 1204-21-3

2-BROMO-2′,5′-DIMETHOXYACETOPHENONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-021361
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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: 100g
  • 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 1204-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

1204-21-3 / 2-bromo-1-(2,5-dimethoxyphenyl)ethanone

2-Bromo-2',5'-dimethoxyacetophenone | 2-Bromo-1-(2,5-dimethoxyphenyl)ethanone | Ethanone, 2-bromo-1-(2,5-dimethoxyphenyl)-

Standard CAS: 1204-21-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1204-21-3
Multi CAS
Yes
Molecular Formula
C10H11BrO3
Molecular Weight
259.100000
Exact Mass
257.989160
SMILES
COC1=CC(=C(C=C1)OC)C(=O)CBr
InChI
InChI=1S/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3
InChIKey
RGQNFYVSEWDUEI-UHFFFAOYSA-N
Synonyms
2-Bromo-2',5'-dimethoxyacetophenone 2-Bromo-1-(2,5-dimethoxyphenyl)ethanone Ethanone, 2-bromo-1-(2,5-dimethoxyphenyl)- 2,5-Dimethoxyphenacyl bromide alpha-Bromo-2',5'-dimethoxyacetophenone

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
57.67
TPSA
35.53

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.3
Consensus LogP
2.2
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (97.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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