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CAS 38239-45-1 5-BROMO-3-METHYLTHIOPHENE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 38239-45-1

5-BROMO-3-METHYLTHIOPHENE-2-CARBOXYLIC ACID

  • Product code: SSC-145768
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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: 1g, 5g
  • Available purity: >95%
  • 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 38239-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

38239-45-1 / 5-bromo-3-methylthiophene-2-carboxylic acid

Standard CAS: 38239-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38239-45-1
Multi CAS
No
Molecular Formula
C6H5BRO2S
Molecular Weight
221.070000
Exact Mass
219.919360
InChI
InChI=1S/C6H5BrO2S/c1-3-2-4(7)10-5(3)6(8)9/h2H,1H3,(H,8,9)
InChIKey
JFFWMBSFXUTFLN-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
H-bond donors
1
Molar refractivity
43.72
TPSA
37.3

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.9
Consensus LogP
2.55
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

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