Cas no 108749-03-7 (2,3,5,6,7,8-hexahydrocinnolin-3-one hydrobromide)
2,3,5,6,7,8-Hexahydrocinnolin-3-one hydrobromide is a heterocyclic organic compound featuring a partially saturated cinnoline core with a ketone functional group at the 3-position, stabilized as a hydrobromide salt. This structure imparts enhanced solubility and stability, making it suitable for synthetic applications in medicinal chemistry and pharmaceutical research. The hydrobromide form improves handling and storage characteristics while maintaining reactivity for further derivatization. Its rigid bicyclic framework serves as a valuable intermediate for constructing biologically active molecules, particularly in the development of CNS-targeting agents or enzyme inhibitors. The compound’s defined stereochemistry and purity profile ensure reproducibility in research settings.
108749-03-7 structure
Product Name:2,3,5,6,7,8-hexahydrocinnolin-3-one hydrobromide
CAS No:108749-03-7
MF:C8H11BrN2O
MW:231.089740991592
CID:894128
PubChem ID:6463100
Update Time:2025-05-24
2,3,5,6,7,8-hexahydrocinnolin-3-one hydrobromide Chemical and Physical Properties
Names and Identifiers
-
- IFLAB-BB F2124-0002
- 5,6,7,8-tetrahydro-2H-cinnolin-3-one
- 5,6,7,8-Tetrahydro-2H-cinnolin-3-one hydrobromide
- 2,3,5,6,7,8-hexahydrocinnolin-3-one
- 2,5,6,7,8-pentahydrocinnolin-3-one
- 5,6,7,8-Tetrahydro-2H-cinnolin-3-on, Hydrobromid
- 5,6,7,8-Tetrahydrocinnolin-3(2H)-one
- AC1L5JLH
- AC1Q6H0B
- F2124-0002
- m-Meconin
- NSC25397
- 5,6,7,8-Tetrahydro-3(2H)-cinnolinone
- 3-OXO-2,3,5,6,7,8-HEXAHYDROCINNOLIN-1-IUM BROMIDE
- 2,3,5,6,7,8-hexahydrocinnolin-3-one hydrobromide
- CHEMBL1420177
- SMR000062274
- 5,6,7,8-tetrahydrocinnolin-3(2H)-onehydrobromide
- Z56886574
- 108749-03-7
- 5,6,7,8-tetrahydro-2H-cinnolin-3-one;hydrobromide
- AKOS005189028
- MLS000096428
- 5,6,7,8-tetrahydrocinnolin-3(2H)-one hydrobromide
-
- Inchi: 1S/C8H10N2O.BrH/c11-8-5-6-3-1-2-4-7(6)9-10-8;/h5H,1-4H2,(H,10,11);1H
- InChI Key: XSEJJFDQNUSFOY-UHFFFAOYSA-N
- SMILES: Br.O=C1C=C2C(CCCC2)=NN1
Computed Properties
- Exact Mass: 230.00548g/mol
- Monoisotopic Mass: 230.00548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 253
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.5?2
Experimental Properties
- Density: 1.4±0.1 g/cm3
- Melting Point: 192-194 °C
2,3,5,6,7,8-hexahydrocinnolin-3-one hydrobromide Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2,3,5,6,7,8-hexahydrocinnolin-3-one hydrobromide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T294513-25mg |
5,6,7,8-Tetrahydro-2h-cinnolin-3-one Hydrobromide |
108749-03-7 | 25mg |
$ 50.00 | 2022-06-02 | ||
| TRC | T294513-50mg |
5,6,7,8-Tetrahydro-2h-cinnolin-3-one Hydrobromide |
108749-03-7 | 50mg |
$ 70.00 | 2022-06-02 | ||
| TRC | T294513-250mg |
5,6,7,8-Tetrahydro-2h-cinnolin-3-one Hydrobromide |
108749-03-7 | 250mg |
$ 230.00 | 2022-06-02 | ||
| Advanced ChemBlocks | L18525-1g |
5,6,7,8-Tetrahydro-2H-cinnolin-3-one hydrobromide |
108749-03-7 | 95% | 1g |
$335 | 2024-05-20 | |
| Advanced ChemBlocks | L18525-5g |
5,6,7,8-Tetrahydro-2H-cinnolin-3-one hydrobromide |
108749-03-7 | 95% | 5g |
$1000 | 2024-05-20 | |
| A2B Chem LLC | AE16230-1mg |
5,6,7,8-Tetrahydrocinnolin-3(2H)-one hydrobromide |
108749-03-7 | 95% | 1mg |
$317.00 | 2024-04-20 | |
| A2B Chem LLC | AE16230-5mg |
5,6,7,8-Tetrahydrocinnolin-3(2H)-one hydrobromide |
108749-03-7 | 95% | 5mg |
$357.00 | 2024-04-20 | |
| A2B Chem LLC | AE16230-10mg |
5,6,7,8-Tetrahydrocinnolin-3(2H)-one hydrobromide |
108749-03-7 | 95% | 10mg |
$386.00 | 2024-04-20 | |
| A2B Chem LLC | AE16230-250mg |
5,6,7,8-Tetrahydrocinnolin-3(2H)-one hydrobromide |
108749-03-7 | 95% | 250mg |
$397.00 | 2024-04-20 | |
| A2B Chem LLC | AE16230-500mg |
5,6,7,8-Tetrahydrocinnolin-3(2H)-one hydrobromide |
108749-03-7 | 95% | 500mg |
$616.00 | 2024-04-20 |
2,3,5,6,7,8-hexahydrocinnolin-3-one hydrobromide Related Literature
-
Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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