Research chemical
CAS Number: 515872-62-5
![Propyl 2-{[(3-chloro-6-ethyl-1-benzothien-2-yl)carbonyl]amino}-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate molecular structure, CAS 515872-62-5](/structure-images/515872-62-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3450840
Exact Mass
553.151214
InChIKey
ONXCATXBWFROQQ-UHFFFAOYSA-N
IUPAC Name
propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate
SMILES String
CCCOC(=O)c1c(NC(=O)c2sc3cc(CC)ccc3c2Cl)sc(C)c1-c1ccc(CC(C)C)cc1
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.
Propyl 2-{[(3-chloro-6-ethyl-1-benzothien-2-yl)carbonyl]amino}-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate is identified by CAS 515872-62-5, with molecular formula C30H32ClNO3S2, molecular weight 554.2, InChIKey ONXCATXBWFROQQ-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
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
37
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
9
Ring count
4
Aromatic rings
4
Topological polar surface area
55.4 Ų
Computed LogP
9.17
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
Propyl 2-{[(3-chloro-6-ethyl-1-benzothien-2-yl)carbonyl]amino}-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate (CAS 515872-62-5) is maintained as a commercial cas reference with formula C30H32ClNO3S2, molecular weight 554. 20 g/mol, PubChem CID 3450840.
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.