Research chemical
CAS Number: 3030718-42-1
![(3S,6S,9S,15aR)-6,9-Dibenzyl-3-(6-oxo-6-((2S,3R)-3-undecyloxiran-2-yl)hexyl)octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetraone molecular structure, CAS 3030718-42-1](/structure-images/3030718-42-1.png?v=struct-v3)
Product details
PubChem CID
171378303
Exact Mass
756.482586
InChIKey
SOQFWBMJCDEYIS-HEDWBRNXSA-N
IUPAC Name
(3S,6S,9S,12R)-3,6-dibenzyl-9-[6-oxo-6-[(2S,3R)-3-undecyloxiran-2-yl]hexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
SMILES String
CCCCCCCCCCC[C@H]1O[C@@H]1C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O
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.
(3S,6S,9S,15aR)-6,9-Dibenzyl-3-(6-oxo-6-((2S,3R)-3-undecyloxiran-2-yl)hexyl)octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetraone is identified by CAS 3030718-42-1, with molecular formula C45H64N4O6, molecular weight 757, InChIKey SOQFWBMJCDEYIS-HEDWBRNXSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
55
H-bond acceptors
10
H-bond donors
3
Rotatable bonds
21
Ring count
5
Aromatic rings
2
Topological polar surface area
137.21 Ų
Computed LogP
6.53
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
00 g/mol, PubChem CID 171378303.
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.