Research chemical
CAS Number: 338777-64-3
![2-({[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-2-phenylethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylate molecular structure, CAS 338777-64-3](/structure-images/338777-64-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5185075
Exact Mass
611.082633
InChIKey
XUEPBJGAQVPYRP-UHFFFAOYSA-N
IUPAC Name
[2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-2-phenylethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILES String
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(COC(=O)c1c(-c2c(F)cccc2Cl)noc1C)c1ccccc1
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.
2-({[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-2-phenylethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylate is identified by CAS 338777-64-3, with molecular formula C30H21Cl2F2N3O5, molecular weight 612.4, InChIKey XUEPBJGAQVPYRP-UHFFFAOYSA-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
42
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
8
Ring count
5
Aromatic rings
5
Topological polar surface area
107.46 Ų
Computed LogP
7.53
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
2-({[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-2-phenylethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylate (CAS 338777-64-3) is maintained as a commercial cas reference with formula C30H21Cl2F2N3O5, molecular weight 612.
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.
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