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5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene structure
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5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene

TL;DR: 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene (CAS 88149-94-4) is a chemical compound with molecular formula C17H12BrFO2S2 and molecular weight 409.9446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thiophene

Also Known As: Dup 697, BFMeT, DuP697, ZCL278, 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thiophene

CAS Number
88149-94-4
Molecular Formula
C17H12BrFO2S2
Molecular Weight
409.9446 g/mol
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Application Areas

Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.

Analytical Reagents (1 patents) Biotechnology (1 patents) Heterocyclic Building Blocks (84 patents) Organic Building Blocks (6 patents) Peptides & Amino Acids (2 patents)

Technical Specifications

Molecular FormulaC17H12BrFO2S2
Molecular Weight409.9446 g/mol
XLogP5.3
Topological Polar Surface Area (TPSA)70.8 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds3
Exact Mass409.9446 Da
Heavy Atoms23
Complexity491.0
SMILESCS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)Br)C3=CC=C(C=C3)F
InChIKeyAJFTZWGGHJXZOB-UHFFFAOYSA-N

Product Description

Applications: 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene (CAS 88149-94-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene (CAS 88149-94-4) is a pharmaceutical intermediate with the molecular formula C17H12BrFO2S2 and a molecular weight of 409.94 g/mol. It is also known as dup-697 and Dup 697.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene

XLogP
5.3
TPSA (Topological Polar Surface Area)
70.8
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
23
Complexity
491.0
Exact Mass
409.9446
Monoisotopic Mass
409.9446
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene

The XLogP value of 5.3 indicates that 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene. Following Lipinski's Rule of Five, 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene?

The CAS number of 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene is 88149-94-4.

What is the molecular formula of 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene?

The molecular formula of 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene is C17H12BrFO2S2.

What is the molecular weight of 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene?

The molecular weight of 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene is 409.9446 g/mol.

What are the applications of 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene?

5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem...

Where can I buy 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene?

You can request a quote for 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene?

Yes, CoreyChem provides custom synthesis services for 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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