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CAS 80775-39-9 3-Acetyl-2,5-dibromothiophene molecular structure lightbox
CAS RN: 80775-39-9

3-Acetyl-2,5-dibromothiophene

  • Product code: SSC-189436
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 80775-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

80775-39-9 / 1-(2,5-dibromothiophen-3-yl)ethanone

Standard CAS: 80775-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80775-39-9
Multi CAS
No
Molecular Formula
C6H4BR2OS
Molecular Weight
283.970000
Exact Mass
283.832910
InChI
InChI=1S/C6H4Br2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
InChIKey
KHLBKIZAUJGZHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.72
TPSA
17.07

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
3.3
Consensus LogP
3.28
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly 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)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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