Research chemical
CAS Number: 407627-60-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
146681215
Exact Mass
955.199567
InChIKey
PIQXJQCAOCUQOD-UHFFFAOYSA-N
IUPAC Name
3-[(2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3-methyl-5-sulfoindol-1-yl]propane-1-sulfonate
SMILES String
CC1(CCCCCC(=O)ON2C(=O)CCC2=O)C(/C=C/C=C/C=C2\N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21
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.
AF647-NHS ester is identified by CAS 407627-60-5, with molecular formula C40H49N3O16S4, molecular weight 956.1, InChIKey PIQXJQCAOCUQOD-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
63
H-bond acceptors
19
H-bond donors
3
Rotatable bonds
20
Ring count
5
Aromatic rings
2
Topological polar surface area
290.24 Ų
Computed LogP
4.1
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
AF647-NHS ester (CAS 407627-60-5) is maintained as a commercial cas reference with formula C40H49N3O16S4, molecular weight 956. 10 g/mol, PubChem CID 146681215.
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.