≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged 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.
| Canonical Smiles | C[C@@H]1CC2=CC3=C(C=C2C(=NN1C4=NN=C(S4)C)C5=CC(=C(C=C5)N)C)OCO3 |
|---|---|
| IUPAC Name | 2-methyl-4-[(8R)-8-methyl-7-(5-methyl-1,3,4-thiadiazol-2-yl)-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline |
| InChIKey | DBDUGNPURSLMPS-GFCCVEGCSA-N |
| INCHI | 1S/C21H21N5O2S/c1-11-6-14(4-5-17(11)22)20-16-9-19-18(27-10-28-19)8-15(16)7-12(2)26(25-20)21-24-23-13(3)29-21/h4-6,8-9,12H,7,10,22H2,1-3H3/t12-/m1/s1 |
| Molecular Weight | 407.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodiazepines |
| Alternative Parents | Benzodioxoles Aniline and substituted anilines Aminotoluenes Primary aromatic amines Thiadiazoles Heteroaromatic compounds Oxacyclic compounds Hydrazones Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodiazepine - Benzodioxole - Aniline or substituted anilines - Aminotoluene - Toluene - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Azole - Thiadiazole - Heteroaromatic compound - Hydrazone - Acetal - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms). |
| External Descriptors | Not available |
| Molecular Weight | 407.500 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 407.142 Da |
| Monoisotopic Mass | 407.142 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 636.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![(R)-2-Methyl-4-(8-methyl-7-(5-methyl-1,3,4-thiadiazol-2-yl)-8,9-dihydro-7H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d][1,2]diazepin-5-yl)aniline - ≥98% CAS No(732278-52-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/R/9/R970318.jpg)