Research chemical
CAS Number: 3082361-42-7
![2-[2-[3-[3-[3-[Bis[3-[2-[2-(3-decylsulfanyl-2-methylpropanoyl)oxyethyldisulfanyl]ethoxy]-3-oxopropyl]amino]propyl-methylamino]propyl-[3-[2-[2-(3-decylsulfanyl-2-methylpropanoyl)oxyethyldisulfanyl]ethoxy]-3-oxopropyl]amino]propanoyloxy]ethyldisulfanyl]ethyl 3-decylsulfanyl-2-methylpropanoate molecular structure, CAS 3082361-42-7](/structure-images/3082361-42-7.png?v=struct-v3)
PubChem CID
172871932
Exact Mass
1945.930791
InChIKey
KTIRKMBPBLQRPY-UHFFFAOYSA-N
SMILES String
CCCCCCCCCCSCC(C)C(=O)OCCSSCCOC(=O)CCN(CCCN(C)CCCN(CCC(=O)OCCSSCCOC(=O)C(C)CSCCCCCCCCCC)CCC(=O)OCCSSCCOC(=O)C(C)CSCCCCCCCCCC)CCC(=O)OCCSSCCOC(=O)C(C)CSCCCCCCCCCC
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.
2-[2-[3-[3-[3-[Bis[3-[2-[2-(3-decylsulfanyl-2-methylpropanoyl)oxyethyldisulfanyl]ethoxy]-3-oxopropyl]amino]propyl-methylamino]propyl-[3-[2-[2-(3-decylsulfanyl-2-methylpropanoyl)oxyethyldisulfanyl]ethoxy]-3-oxopropyl]amino]propanoyloxy]ethyldisulfanyl]ethyl 3-decylsulfanyl-2-methylpropanoate is identified by CAS 3082361-42-7, with molecular formula C91H171N3O16S12, molecular weight 1948.1, InChIKey KTIRKMBPBLQRPY-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Product details
For laboratory research and professional procurement workflows.
Heavy atom count
122
H-bond acceptors
19
H-bond donors
0
Rotatable bonds
96
Ring count
0
Aromatic rings
0
Topological polar surface area
220.12 Ų
Computed LogP
23.77
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
10 g/mol, PubChem CID 172871932.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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