Research chemical
CAS Number: 1027359-40-5
![Tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethylamino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate molecular structure, CAS 1027359-40-5](/structure-images/1027359-40-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
Not available
Exact Mass
748.473478
InChIKey
KJBYIPLWNMDOHI-UHFFFAOYSA-N
SMILES String
CC(C)(C)OC(=O)CN1CCN(CC(=O)NCCNC(=O)OCc2ccccc2)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
Tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethylamino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate is identified by CAS 1027359-40-5, with molecular formula C38H64N6O9, molecular weight 748.9, InChIKey KJBYIPLWNMDOHI-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.
Heavy atom count
53
H-bond acceptors
15
H-bond donors
2
Rotatable bonds
13
Ring count
2
Aromatic rings
1
Topological polar surface area
159.29 Ų
Computed LogP
2.28
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
90 g/mol, PubChem CID 58351690.
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.