Determine the necessary mass, volume, or concentration for preparing a solution.
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for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
YL-109 is a novel antitumor agent that has ability to inhibit breast cancer cell growth and invasiveness in vitro and in vivo.
| ALogP | 3.58 |
|---|---|
| Conteggio HBD | 1 |
| Legame rotabile | 2 |
| Pubchem Sid | 504762485 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762485 |
| Sorrisi canonici | COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)O |
| IUPAC Name | 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol |
| InChIKey | KRVBOHJNAFQFPW-UHFFFAOYSA-N |
| INCHI | 1S/C14H11NO2S/c1-17-12-8-9(6-7-11(12)16)14-15-10-4-2-3-5-13(10)18-14/h2-8,16H,1H3 |
| Isomeri SMILES | COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)O |
| PubChem CID | 3155228 |
| Peso molecolare | 257.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Classe | Phenols |
| Subclass | Methoxyphenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methoxyphenols |
| Alternative Parents | Benzothiazoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Methoxyphenol - 1,3-benzothiazole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Azole - Thiazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
| Certificate of Analysis | Jan 29, 2026 | Y413544 | |
| Certificate of Analysis | May 09, 2025 | Y413544 | |
| Certificate of Analysis | May 09, 2025 | Y413544 | |
| Certificate of Analysis | May 09, 2025 | Y413544 |
| Solubilità | DMF: 30 mg/ml;DMSO: 30 mg/ml;DMSO:PBS (pH 7.2) (1:9): 0.1 mg/ml;Ethanol: 1 mg/ml |
|---|---|
| DMSO (mg/mL) Solubilità massima | 51 |
| DMSO (mM) Solubilità massima | 198.204500408068 |
| Acqua (mg/mL) Solubilità massima | <1 |
| Peso molecolare | 257.310 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 257.051 Da |
| Monoisotopic Mass | 257.051 Da |
| Topological Polar Surface Area | 70.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 289.000 |
| 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 |