Research chemical
CAS Number: 380643-57-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1572693
Exact Mass
404.117922
InChIKey
IVBWRYGQQLYQRI-UHFFFAOYSA-N
SMILES String
COc1ccc(C2=C(Cl)C=C(c3ccc(C)cc3)c3ccccc3O2)cc1OC
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.
3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine is identified by CAS 380643-57-2, with molecular formula C25H21ClO3, molecular weight 404.9, InChIKey IVBWRYGQQLYQRI-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
29
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
4
Ring count
4
Aromatic rings
3
Topological polar surface area
27.69 Ų
Computed LogP
6.44
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine (CAS 380643-57-2) is maintained as a commercial cas reference with formula C25H21ClO3, molecular weight 404. 90 g/mol, PubChem CID 1572693.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.