Research chemical
CAS Number: 462632-54-8
![3-((E)-(((1R,2R)-2-(((1S)-1-((Dimethylamino)carbonyl]-2,2-dimethylpropyl)thioureido)cyclohexyl)imino)methyl)-5-(tert-butyl)-4-hydrox molecular structure, CAS 462632-54-8](/structure-images/462632-54-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
135494426
Exact Mass
574.355277
InChIKey
BOFCLIFENISFHX-VDKIKQQVSA-N
IUPAC Name
[3-tert-butyl-5-[[(1R,2R)-2-[[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamothioylamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 2,2-dimethylpropanoate
SMILES String
CN(C)C(=O)[C@@H](NC(=S)N[C@@H]1CCCC[C@H]1N=Cc1cc(OC(=O)C(C)(C)C)cc(C(C)(C)C)c1O)C(C)(C)C
No physical property values available.
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.
3-((E)-(((1R,2R)-2-(((1S)-1-((Dimethylamino)carbonyl]-2,2-dimethylpropyl)thioureido)cyclohexyl)imino)methyl)-5-(tert-butyl)-4-hydrox is identified by CAS 462632-54-8, with molecular formula C31H50N4O4S, molecular weight 574.8, InChIKey BOFCLIFENISFHX-VDKIKQQVSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
40
H-bond acceptors
8
H-bond donors
3
Rotatable bonds
6
Ring count
2
Aromatic rings
1
Topological polar surface area
103.26 Ų
Computed LogP
5.34
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
3-((E)-(((1R,2R)-2-(((1S)-1-((Dimethylamino)carbonyl]-2,2-dimethylpropyl)thioureido)cyclohexyl)imino)methyl)-5-(tert-butyl)-4-hydrox (CAS 462632-54-8) is maintained as a commercial cas reference with formula C31H50N4O4S, molecular weight 574.
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, drug-like rule profile.
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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