Research chemical
CAS Number: 2011757-24-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
132201259
Exact Mass
1252.603764
InChIKey
DKEFXUHKLOEGCK-UHFFFAOYSA-N
IUPAC Name
15-hexyl-6-[15-hexyl-9,11,19,21-tetraoxo-10,20-di(pentan-3-yl)-10,15,20-triazaoctacyclo[16.7.1.14,8.02,16.03,14.05,25.022,26.012,27]heptacosa-1(25),2(16),3(14),4(27),5,7,12,17,22(26),23-decaen-6-yl]-10,20-di(pentan-3-yl)-10,15,20-triazaoctacyclo[16.7.1.14,8.02,16.03,14.05,25.022,26.012,27]heptacosa-1(25),2(16),3(14),4(27),5,7,12,17,22(26),23-decaene-9,11,19,21-tetrone
SMILES String
CCCCCCn1c2cc3c(=O)n(C(CC)CC)c(=O)c4ccc5c6c(-c7cc8c(=O)n(C(CC)CC)c(=O)c9cc%10c%11c(c7c7ccc%12c(=O)n(C(CC)CC)c(=O)c%13cc(c%11c7c%12%13)n%10CCCCCC)c89)cc7c(=O)n(C(CC)CC)c(=O)c8cc1c(c6c78)c2c5c43
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.
TPDI-Hex is identified by CAS 2011757-24-5, with molecular formula C80H80N6O8, molecular weight 1253.5, InChIKey DKEFXUHKLOEGCK-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
94
H-bond acceptors
14
H-bond donors
0
Rotatable bonds
23
Ring count
16
Aromatic rings
16
Topological polar surface area
166.14 Ų
Computed LogP
17.3
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
TPDI-Hex (CAS 2011757-24-5) is maintained as a commercial cas reference with formula C80H80N6O8, molecular weight 1253. 50 g/mol, PubChem CID 132201259.
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.