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CAS 1183778-97-3 2-Bromo-2’-bromo-4’-methoxyacetophenone molecular structure lightbox
CAS RN: 1183778-97-3

2-Bromo-2’-bromo-4’-methoxyacetophenone

  • Product code: SSC-018141
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1183778-97-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1183778-97-3 / 2-bromo-1-(2-bromo-4-methoxyphenyl)ethanone

2-bromo-2'-bromo-4'-methoxyacetophenone | MFCD12150359 | 2-bromo-1-(2-bromo-4-methoxyphenyl)ethanone

Standard CAS: 1183778-97-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1183778-97-3
Multi CAS
No
Molecular Formula
C9H8Br2O2
Molecular Weight
307.970000
Exact Mass
307.887060
SMILES
COC1=CC(=C(C=C1)C(=O)CBr)Br
InChI
InChI=1S/C9H8Br2O2/c1-13-6-2-3-7(8(11)4-6)9(12)5-10/h2-4H,5H2,1H3
InChIKey
GOOOJKFZIYIHDF-UHFFFAOYSA-N
Synonyms
2-bromo-2'-bromo-4'-methoxyacetophenone MFCD12150359 2-bromo-1-(2-bromo-4-methoxyphenyl)ethanone 2-BROMO-2-BROMO-4-METHOXYACETOPHENONE Ethanone, 2-bromo-1-(2-bromo-4-methoxyphenyl)-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
58.82
TPSA
26.3

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
3.1
Consensus LogP
2.94
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

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

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