Research chemical
CAS Number: 803712-71-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
57353644
Exact Mass
258.03678
InChIKey
KBDKTONRMACOFC-UHFFFAOYSA-N
IUPAC Name
N-[(5-bromo-3-methoxypyrrol-2-ylidene)methyl]-N-ethylethanamine
SMILES String
CCN(C=C1N=C(Br)C=C1OC)CC
No physical property values available.
XLogP
1.8
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
14
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
4
Ring count
1
Aromatic rings
0
Topological polar surface area
24.83 Ų
Computed LogP
2.51
Structural features
N-((5-Bromo-3-methoxy-2H-pyrrol-2-ylidene)methyl)-N-ethylethanamine (CAS 803712-71-2) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C10H15BrN2O and molecular weight 259. 14 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
N-((5-Bromo-3-methoxy-2H-pyrrol-2-ylidene)methyl)-N-ethylethanamine is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestShipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.