Research chemical
CAS Number: 1616921-49-3
![Dibutyl 16-[2,6-di(propan-2-yl)phenyl]-3,12-bis(4-methoxyphenoxy)-15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6,8,10(23),11,13,18(22),19-decaene-5,7-dicarboxylate molecular structure, CAS 1616921-49-3](/structure-images/1616921-49-3.png?v=struct-v3)
Product details
PubChem CID
101887289
Exact Mass
925.382597
InChIKey
NFBXWZAEMDTOKF-UHFFFAOYSA-N
SMILES String
CCCCOC(=O)c1ccc2c3c(Oc4ccc(OC)cc4)cc4c5c(ccc(c6c(Oc7ccc(OC)cc7)cc(C(=O)OCCCC)c1c26)c53)C(=O)N(c1c(C(C)C)cccc1C(C)C)C4=O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Dibutyl 16-[2,6-di(propan-2-yl)phenyl]-3,12-bis(4-methoxyphenoxy)-15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6,8,10(23),11,13,18(22),19-decaene-5,7-dicarboxylate is identified by CAS 1616921-49-3, with molecular formula C58H55NO10, molecular weight 926.1, InChIKey NFBXWZAEMDTOKF-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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For laboratory research and professional procurement workflows.
Heavy atom count
69
H-bond acceptors
11
H-bond donors
0
Rotatable bonds
17
Ring count
9
Aromatic rings
8
Topological polar surface area
126.9 Ų
Computed LogP
14.3
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
Dibutyl 16-[2,6-di(propan-2-yl)phenyl]-3,12-bis(4-methoxyphenoxy)-15,17-dioxo-16-azahexacyclo[12. 6. 2. 12,6. 011,21. 018,22.
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.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.