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· · COA & SDS available for every product · Same-day shipping on in-stock items Home Applications Drug Discovery 6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine , CAS No.1172617-14-9 6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine , CAS No.1172617-14-9
Synonyms
7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)- | 6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine | triazolothiadiazine, 7 | 6-(
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
7H-1, 2, 4-Triazolo[3, 4-b][1, 3, 4]thiadiazine, 6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2, 5-dimethoxyphenyl)- | 6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2, 5-dimethoxyphenyl)-7H-[1, 2, 4]triazolo[3, 4-b][1, 3, 4]thiadiazine | triazolothiadiazine, 7 | 6-(
Product Properties Names and Identifiers Canonical Smiles COC1=CC(=C(C=C1)OC)C2=NN=C3N2N=C(CS3)C4=CC(=C(C=C4)OC)OCC5CC5 IUPAC Name 6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine InChIKey LVNBHNLIFRJJLL-UHFFFAOYSA-N INCHI 1S/C23H24N4O4S/c1-28-16-7-9-19(29-2)17(11-16)22-24-25-23-27(22)26-18(13-32-23)15-6-8-20(30-3)21(10-15)31-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3 Isomeric SMILES COC1=CC(=C(C=C1)OC)C2=NN=C3N2N=C(CS3)C4=CC(=C(C=C4)OC)OCC5CC5 PubChem CID 44142094 Molecular Weight 452.5
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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Azoles Subclass Triazoles Intermediate Tree Nodes Phenyltriazoles Direct Parent Phenyl-1,2,4-triazoles Alternative Parents Dimethoxybenzenes Phenoxy compounds Anisoles Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenyl-1,2,4-triazole - P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thioether - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 452.500 g/mol XLogP3 4.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 8 Exact Mass 452.152 Da Monoisotopic Mass 452.152 Da Topological Polar Surface Area 105.000 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 666.000 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
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