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N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide structure
Fine Chemical

N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide

TL;DR: N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide (CAS 100279-89-8) is a chemical compound with molecular formula C16H9BrF6N2O2S and molecular weight 485.94724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[[2-bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide

Also Known As: N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide, N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylthio)phenyl)carbamoyl)-2,6-difluorobenzamide, 1-(2,6-Difluorobenzoyl)-3-[2-bromo-4-[(1,1,2,2-tetrafluoroethyl)thio]phenyl]urea, 3-{2-bromo-4-[(1,1,2,2-tetrafluoroethyl)sulfanyl]phenyl}-1-(2,6-difluorobenzoyl)urea, N-({2-bromo-4-[(1,1,2,2-tetrafluoroethyl)sulfanyl]phenyl}carbamoyl)-2,6-difluorobenzamide

CAS Number
100279-89-8
Molecular Formula
C16H9BrF6N2O2S
Molecular Weight
485.94724 g/mol
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Technical Specifications

Molecular FormulaC16H9BrF6N2O2S
Molecular Weight485.94724 g/mol
XLogP5.9
Topological Polar Surface Area (TPSA)83.5 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors9
Rotatable Bonds5
Exact Mass485.94724 Da
Heavy Atoms28
Complexity563.0
SMILESC1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)SC(C(F)F)(F)F)Br)F
InChIKeyUOYKBKXVGIDOBH-UHFFFAOYSA-N

Product Description

Applications: AC1L47UL is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

A fine chemical supplied by CoreyChem, AC1L47UL (CAS 100279-89-8) has the molecular formula C16H9BrF6N2O2S and a molecular weight of 485.95 g/mol. Synonyms include N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide and N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylthio)phenyl)carbamoyl)-2,6-difluorobenzamide.

Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide

XLogP
5.9
TPSA (Topological Polar Surface Area)
83.5
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
9
Rotatable Bonds
5
Heavy Atoms
28
Complexity
563.0
Exact Mass
485.94724
Monoisotopic Mass
485.94724
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 N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide

The XLogP value of 5.9 indicates that N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide. Following Lipinski's Rule of Five, N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?

The CAS number of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide is 100279-89-8.

What is the molecular formula of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?

The molecular formula of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide is C16H9BrF6N2O2S.

What is the molecular weight of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?

The molecular weight of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide is 485.94724 g/mol.

What are the applications of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?

AC1L47UL is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Where can I buy N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?

You can request a quote for N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?

Yes, CoreyChem provides custom synthesis services for N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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