Research chemical
CAS Number: 249736-49-0
![Ethyl 4-({2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl}amino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate molecular structure, CAS 249736-49-0](/structure-images/249736-49-0.png?v=struct-v3)
Product details
PubChem CID
69866278
Exact Mass
598.280278
InChIKey
CAYJBRBGZBCZKO-UHFFFAOYSA-N
IUPAC Name
ethyl 4-[[2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
SMILES String
CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(=O)C(NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)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.
Ethyl 4-({2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl}amino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate is identified by CAS 249736-49-0, with molecular formula C31H39FN4O7, molecular weight 598.7, InChIKey CAYJBRBGZBCZKO-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
43
H-bond acceptors
11
H-bond donors
3
Rotatable bonds
15
Ring count
3
Aromatic rings
2
Topological polar surface area
156.7 Ų
Computed LogP
2.82
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
Ethyl 4-({2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl}amino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate (CAS 249736-49-0) is maintained as a commercial cas reference with formula C31H39FN4O7, molecular weight 598.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.