Determine the necessary mass, volume, or concentration for preparing a solution.
Bms-929075 , CAS No.1217338-97-0
注文可能
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
Why this grade
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
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。
アクションタイプ
INHIBITOR
名前と識別子
| カノニカル・スマイル | CC1=C(C=C(C=C1)C(=O)NC2(CC2)C3=NC=CC=N3)C4=C(C5=C(C=C4)OC(=C5C(=O)NC)C6=CC=C(C=C6)F)F |
|---|---|
| IUPAC Name | 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide |
| InChIKey | LZAUGCMVNLZVJV-UHFFFAOYSA-N |
| INCHI | 1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38) |
| 異性体SMILES | CC1=C(C=C(C=C1)C(=O)NC2(CC2)C3=NC=CC=N3)C4=C(C5=C(C=C4)OC(=C5C(=O)NC)C6=CC=C(C=C6)F)F |
| 代替CAS番号 | 1217338-97-0 |
| PubChem CID | 59275404 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| 分類 | 2-arylbenzofuran flavonoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-arylbenzofuran flavonoids |
| Alternative Parents | Linear diarylheptanoids Lignans, neolignans and related compounds 2-phenylbenzofurans p-Toluamides Benzamides Benzoyl derivatives Furan-3-carboxylic acid and derivatives Fluorobenzenes Aryl fluorides Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-arylbenzofuran flavonoid - Linear 1,7-diphenylheptane skeleton - Neolignan skeleton - 2-phenylbenzofuran - Phenylbenzofuran - P-toluamide - Toluamide - Benzamide - Benzoic acid or derivatives - Benzofuran - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Benzoyl - Toluene - Halobenzene - Fluorobenzene - Aryl halide - Pyrimidine - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. |
| External Descriptors | Not available |
3 D構造
インタラクティブ化学構造モデル
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
| 分子量 | 538.500 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 538.182 Da |
| Monoisotopic Mass | 538.182 Da |
| Topological Polar Surface Area | 97.100 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 920.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
ソリューション計算機
レビュー
顧客レビュー
よくある質問
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1217338-97-0. InChIKey LZAUGCMVNLZVJV-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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