Research chemical
CAS Number: 1048660-06-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
75357784
Exact Mass
281.105193
InChIKey
BDHGXFNOQCPBBZ-UHFFFAOYSA-N
IUPAC Name
1-benzyl-4-methoxyindole-2-carboxylic acid
SMILES String
COc1cccc2c1cc(C(=O)O)n2Cc1ccccc1
Appearance
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.
1-Benzyl-4-methoxy-1H-indole-2-carboxylic acid is identified by CAS 1048660-06-5, with molecular formula C17H15NO3, molecular weight 281.3, InChIKey BDHGXFNOQCPBBZ-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.
Powder or crystals
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
21
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
4
Ring count
3
Aromatic rings
3
Topological polar surface area
51.46 Ų
Computed LogP
3.4
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.
Structural features
1-Benzyl-4-methoxy-1H-indole-2-carboxylic acid (CAS 1048660-06-5) is maintained as a cataloged research chemical with formula C17H15NO3, molecular weight 281. 30 g/mol, PubChem CID 75357784.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
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 Request