Research chemical
CAS Number: 380458-13-9
![16-(2,2,6,6-Tetramethylpiperidin-4-yl)-12,18-dioxa-16-azapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{14,19}]henicosa-1(13),2(11),4(9),5,7,14(19),20-heptaene-3,10-dione molecular structure, CAS 380458-13-9](/structure-images/380458-13-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1279757
Exact Mass
444.204907
InChIKey
GKQSOZQPXIYPSC-UHFFFAOYSA-N
IUPAC Name
16-(2,2,6,6-tetramethylpiperidin-4-yl)-12,18-dioxa-16-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),20-heptaene-3,10-dione
SMILES String
CC1(C)CC(N2COc3ccc4c5c(oc4c3C2)C(=O)c2ccccc2C5=O)CC(C)(C)N1
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
16-(2,2,6,6-Tetramethylpiperidin-4-yl)-12,18-dioxa-16-azapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{14,19}]henicosa-1(13),2(11),4(9),5,7,14(19),20-heptaene-3,10-dione is identified by CAS 380458-13-9, with molecular formula C27H28N2O4, molecular weight 444.5, InChIKey GKQSOZQPXIYPSC-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
33
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
1
Ring count
6
Aromatic rings
3
Topological polar surface area
71.78 Ų
Computed LogP
4.67
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
16-(2,2,6,6-Tetramethylpiperidin-4-yl)-12,18-dioxa-16-azapentacyclo[11. 8. 0. 0^{2,11}. 0^{4,9}.
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.
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