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CAS 395664-56-9 2-Thiophenecarboxylic acid, 4-bromo-3-fluoro-, methyl ester molecular structure lightbox
CAS RN: 395664-56-9

2-Thiophenecarboxylic acid, 4-bromo-3-fluoro-, methyl ester

  • Product code: SSC-147254
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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: 0.25g
  • Available purity: ＞97%
  • 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 395664-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

395664-56-9 / methyl 4-bromo-3-fluorothiophene-2-carboxylate

Standard CAS: 395664-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
395664-56-9
Multi CAS
No
Molecular Formula
BC6H4O2RfS
Molecular Weight
239.060000
Exact Mass
237.909940
InChI
InChI=1S/C6H4BrFO2S/c1-10-6(9)5-4(8)3(7)2-11-5/h2H,1H3
InChIKey
WOIOEHSFRAGWFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.32
TPSA
26.3

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.45

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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