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CAS 100421-52-1 Methyl 3-Fluoro-2-thiophenecarboxylate molecular structure lightbox
CAS RN: 100421-52-1

Methyl 3-Fluoro-2-thiophenecarboxylate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 100g In stock Shanghai Inquiry
Batchno.20250407 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260211 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250520 25g In stock Shanghai Inquiry
Batchno.20250101 5g In stock Shanghai Inquiry
  • Product code: SSC-000990
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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, 10g
  • 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 100421-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

100421-52-1 / methyl 3-fluorothiophene-2-carboxylate

Methyl 3-fluorothiophene-2-carboxylate | DTXSID00441994 | RefChem:355000

Standard CAS: 100421-52-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100421-52-1
Multi CAS
No
Molecular Formula
C6H5FO2S
Molecular Weight
160.170000
Exact Mass
159.999429
SMILES
COC(=O)C1=C(C=CS1)F
InChI
InChI=1S/C6H5FO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChIKey
UKIUEFZYSXIGPY-UHFFFAOYSA-N
Synonyms
Methyl 3-fluorothiophene-2-carboxylate DTXSID00441994 RefChem:355000 DTXCID40392815 Methyl 3-Fluoro-2-thiophenecarboxylate

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.62
TPSA
26.3

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.9
Consensus LogP
1.68
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-2.51

Drug-likeness / Medicinal Chemistry

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

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