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CAS 38239-46-2 5-BROMO-3-METHYLTHIOPHENE-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 38239-46-2

5-BROMO-3-METHYLTHIOPHENE-2-CARBALDEHYDE

  • Product code: SSC-145769
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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, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 38239-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Shanghai Inquiry
25g >95% 1 In Stock Hong Kong Inquiry
100g >95% 0 Out of Stock Shanghai Inquiry

38239-46-2 / 5-bromo-3-methylthiophene-2-carbaldehyde

Standard CAS: 38239-46-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38239-46-2
Multi CAS
No
Molecular Formula
C6H5BROS
Molecular Weight
205.070000
Exact Mass
203.924450
InChI
InChI=1S/C6H5BrOS/c1-4-2-6(7)9-5(4)3-8/h2-3H,1H3
InChIKey
NIXUUECXYHZKTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.14
TPSA
17.07

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.8
Consensus LogP
2.58
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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