Research chemical
CAS Number: 492457-76-8
![1-[1-(4-Butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea molecular structure, CAS 492457-76-8](/structure-images/492457-76-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4232636
Exact Mass
589.18921
InChIKey
MVCPHMMLGTYZEP-UHFFFAOYSA-N
SMILES String
CCCCOc1ccc(N2C(=O)CC(N(C(=O)Nc3cccc(Cl)c3)c3cnn(Cc4ccc(F)cc4)c3)C2=O)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.
1-[1-(4-Butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea is identified by CAS 492457-76-8, with molecular formula C31H29ClFN5O4, molecular weight 590, InChIKey MVCPHMMLGTYZEP-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
42
H-bond acceptors
9
H-bond donors
1
Rotatable bonds
10
Ring count
5
Aromatic rings
4
Topological polar surface area
96.77 Ų
Computed LogP
6.27
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
1-[1-(4-Butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea (CAS 492457-76-8) is maintained as a commercial cas reference with formula C31H29ClFN5O4, molecular weight 590. 00 g/mol, PubChem CID 4232636.
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.