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o-3M3FBS - ≥98% , CAS No.313981-55-4

CAS: 313981-55-4 Cat. No.: O287723 分子式: C16H16F3NO2S 分子量: 343.36
COA
o-3M3FBS - ≥98% CAS No(313981-55-4) by Aladdin Scientific
注文可能
GRADE & PURITY ≥98%
Synonyms
BRD-K46384212-001-01-1 | SB83578 | HY-108608 | Q27164571 | SR-01000406988-2 | FT-0644407 | HMS3676N04 | HMS3268M14 | CHEBI:92812 | O-3M3FBS | NCGC00025319-01 | 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide | MS-25256 | AKOS001604014 | J-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
5mg
O287723-5mg
3 在庫あり
—

$16.90

$25.90
保存 $9.00 (34.75%)
10mg
O287723-10mg
3 在庫あり
—

$29.90

$44.90
保存 $15.00 (33.41%)
25mg
O287723-25mg
3 在庫あり
—

$63.90

$95.90
保存 $32.00 (33.37%)
50mg
O287723-50mg
3 在庫あり
—

$113.90

$170.90
保存 $57.00 (33.35%)
100mg
O287723-100mg
2 在庫あり
—

$204.90

$307.90
保存 $103.00 (33.45%)
250mg
O287723-250mg
2 在庫あり
—

$346.90

$520.90
保存 $174.00 (33.40%)
1g
O287723-1g
1 在庫あり
—

$937.90

$1,406.90
保存 $469.00 (33.34%)
Enter a quantity for the sizes you want to add.
Bulk / Custom
♡ ウィッシュリスト ⇅ 比較リストに入れる ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 ソリューション計算機 レビュー
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語
BRD-K46384212-001-01-1 | SB83578 | HY-108608 | Q27164571 | SR-01000406988-2 | FT-0644407 | HMS3676N04 | HMS3268M14 | CHEBI:92812 | O-3M3FBS | NCGC00025319-01 | 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide | MS-25256 | AKOS001604014 | J-
仕様と純度
≥98%
生化学的・生理学的メカニズム
Inactive analog ofm-3M3FBS. Used as a negative control.Active Analogalso available.
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
純度
≥98%
名前と識別子
パブケム・シド528768712
カノニカル・スマイルCC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F)C
IUPAC Name2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
InChIKeySKJJIFRWCCSXGL-UHFFFAOYSA-N
INCHI1S/C16H16F3NO2S/c1-10-8-11(2)15(12(3)9-10)23(21,22)20-14-7-5-4-6-13(14)16(17,18)19/h4-9,20H,1-3H3
異性体SMILES CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F)C
分子量 343.36
Reaxy-Rn 9933447
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9933447&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassSulfanilides
Intermediate Tree Nodes Not available
Direct ParentSulfanilides
Alternative Parents Trifluoromethylbenzenes  Benzenesulfonamides  Benzenesulfonyl compounds  Organosulfonamides  Aminosulfonyl compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzenesulfonamide - Sulfanilide - Trifluoromethylbenzene - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット（人間）
CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット（非人間）
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate Type日付商品
B2219158Certificate of AnalysisDec 09, 2024 O287723
B2219161Certificate of AnalysisDec 09, 2024 O287723
B2219162Certificate of AnalysisDec 09, 2024 O287723
B2219163Certificate of AnalysisDec 09, 2024 O287723
B2219167Certificate of AnalysisDec 09, 2024 O287723
B2219168Certificate of AnalysisDec 09, 2024 O287723
B2219169Certificate of AnalysisDec 09, 2024 O287723
化学的性質と物理的性質
溶解度Solvent:ethanol, Max Conc. mg/mL: 34.34, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 34.34, Max Conc. mM: 100
分子量343.400 g/mol
XLogP34.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass343.085 Da
Monoisotopic Mass343.085 Da
Topological Polar Surface Area54.600 Ų
Heavy Atom Count23
Formal Charge0
Complexity488.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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