Research chemical
CAS Number: 2710239-04-4
![sodium 1-(5-carboxypentyl)-2-[(1E)-3-[(2Z)-1-ethyl-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3,3-dimethyl-3H-indol-1-ium-5-sulfonate molecular structure, CAS 2710239-04-4](/structure-images/2710239-04-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
86267238
Exact Mass
652.188903
InChIKey
YJVTUTUGONCJBU-UHFFFAOYSA-M
IUPAC Name
sodium (2Z)-2-[(E)-3-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
SMILES String
CCN1/C(=C\C=C\C2=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21.[Na+]
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.
sodium 1-(5-carboxypentyl)-2-[(1E)-3-[(2Z)-1-ethyl-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3,3-dimethyl-3H-indol-1-ium-5-sulfonate is identified by CAS 2710239-04-4, with molecular formula C31H37N2NaO8S2, molecular weight 652.8, InChIKey YJVTUTUGONCJBU-UHFFFAOYSA-M.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
44
H-bond acceptors
10
H-bond donors
1
Rotatable bonds
11
Ring count
4
Aromatic rings
2
Topological polar surface area
157.95 Ų
Computed LogP
1.78
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
80 g/mol, PubChem CID 86267238.
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.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.