Research chemical
CAS Number: 2251753-61-2
![N-[2-[[[(4-methoxyphenyl)amino]thioxomethyl]amino]ethyl]-2-methylene-3-oxo-olean-12-en-28-amide molecular structure, CAS 2251753-61-2](/structure-images/2251753-61-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
145988076
Exact Mass
673.427714
InChIKey
DGJHGYUTHAAGAS-RRBGEOAMSA-N
IUPAC Name
(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-N-[2-[(4-methoxyphenyl)carbamothioylamino]ethyl]-2,2,6a,6b,9,9,12a-heptamethyl-11-methylidene-10-oxo-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene-4a-carboxamide
SMILES String
C=C1C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)NCCNC(=S)Nc5ccc(OC)cc5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O
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.
N-[2-[[[(4-methoxyphenyl)amino]thioxomethyl]amino]ethyl]-2-methylene-3-oxo-olean-12-en-28-amide is identified by CAS 2251753-61-2, with molecular formula C41H59N3O3S, molecular weight 674, InChIKey DGJHGYUTHAAGAS-RRBGEOAMSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
48
H-bond acceptors
6
H-bond donors
3
Rotatable bonds
6
Ring count
6
Aromatic rings
1
Topological polar surface area
79.46 Ų
Computed LogP
8.63
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
N-[2-[[[(4-methoxyphenyl)amino]thioxomethyl]amino]ethyl]-2-methylene-3-oxo-olean-12-en-28-amide (CAS 2251753-61-2) is maintained as a commercial cas reference with formula C41H59N3O3S, molecular weight 674. 00 g/mol, PubChem CID 145988076.
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.