Research chemical
CAS Number: 438458-58-3
![Dibenzyl 4-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-YL]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate molecular structure, CAS 438458-58-3](/structure-images/438458-58-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4198891
Exact Mass
639.273321
InChIKey
LVIDPRRZFGXNBK-UHFFFAOYSA-N
IUPAC Name
dibenzyl 4-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILES String
CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCc3ccccc3)=C(C)NC(C)=C2C(=O)OCc2ccccc2)cc1
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.
Dibenzyl 4-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-YL]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate is identified by CAS 438458-58-3, with molecular formula C40H37N3O5, molecular weight 639.7, InChIKey LVIDPRRZFGXNBK-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
48
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
11
Ring count
6
Aromatic rings
5
Topological polar surface area
91.68 Ų
Computed LogP
7.66
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
Dibenzyl 4-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-YL]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate (CAS 438458-58-3) is maintained as a commercial cas reference with formula C40H37N3O5, molecular weight 639. 70 g/mol, PubChem CID 4198891.
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.