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CAS 125493-06-3 6-bromothieno[3,2-b]thiophene-2-carboxylic acid molecular structure lightbox
CAS RN: 125493-06-3

6-bromothieno[3,2-b]thiophene-2-carboxylic acid

  • Product code: SSC-030218
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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: 5g, 10g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 10
  • 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 125493-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
10g -- 4 In Stock Shenzhen Inquiry
10g ≥95% 4 In Stock Hong Kong Inquiry
0.1g -- 3 In Stock Hong Kong Inquiry
0.1g ≥95% 3 In Stock Hong Kong Inquiry
0.25g -- 3 In Stock Beijing Inquiry
0.25g ≥95% 3 In Stock Shanghai Inquiry
1g -- 3 In Stock Shanghai Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry

125493-06-3 / 3-bromothieno[3,2-b]thiophene-5-carboxylic acid

Standard CAS: 125493-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125493-06-3
Multi CAS
No
Molecular Formula
C7H3BrO2S2
Molecular Weight
263.100000
Exact Mass
261.875780
SMILES
C1=C(SC2=C1SC=C2Br)C(=O)O
InChI
InChI=1S/C7H3BrO2S2/c8-3-2-11-4-1-5(7(9)10)12-6(3)4/h1-2H,(H,9,10)
InChIKey
RLUHYSKWVZFEOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.36
TPSA
37.3

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
3.3
Consensus LogP
3.25
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

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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