Research chemical
CAS Number: 352562-33-5
![2-(1,8-Dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile molecular structure, CAS 352562-33-5](/structure-images/352562-33-5.png?v=struct-v3)
Product details
PubChem CID
2844482
Exact Mass
593.94352
InChIKey
QNTCQMBXSRRGIZ-UHFFFAOYSA-N
IUPAC Name
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SMILES String
N#Cc1c(N2C(=O)C3C(C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)sc2c1CCCC2
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2-(1,8-Dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is identified by CAS 352562-33-5, with molecular formula C27H18Br2N2O2S, molecular weight 594.3, InChIKey QNTCQMBXSRRGIZ-UHFFFAOYSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
34
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
1
Ring count
8
Aromatic rings
3
Topological polar surface area
61.17 Ų
Computed LogP
5.91
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
2-(1,8-Dibromo-16,18-dioxo-17-azapentacyclo[6. 6. 5. 0~2,7~. 0~9,14~.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.