Research chemical
CAS Number: 478250-31-6
![3-({4-[(E)-(2,6-Dichlorophenyl)diazenyl]-1-hydroxy-2-naphthoyl}amino)-4-[methyl(octadecyl)amino]benzenesulfonic acid molecular structure, CAS 478250-31-6](/structure-images/478250-31-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3768481
Exact Mass
796.319197
InChIKey
OFKWWGSQSKFMHV-UHFFFAOYSA-N
IUPAC Name
3-[[4-[(2,6-dichlorophenyl)diazenyl]-1-hydroxynaphthalene-2-carbonyl]amino]-4-[methyl(octadecyl)amino]benzenesulfonic acid
SMILES String
CCCCCCCCCCCCCCCCCCN(C)c1ccc(S(=O)(=O)O)cc1NC(=O)c1cc(N=Nc2c(Cl)cccc2Cl)c2ccccc2c1O
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.
3-({4-[(E)-(2,6-Dichlorophenyl)diazenyl]-1-hydroxy-2-naphthoyl}amino)-4-[methyl(octadecyl)amino]benzenesulfonic acid is identified by CAS 478250-31-6, with molecular formula C42H54Cl2N4O5S, molecular weight 797.9, InChIKey OFKWWGSQSKFMHV-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
54
H-bond acceptors
9
H-bond donors
3
Rotatable bonds
23
Ring count
4
Aromatic rings
4
Topological polar surface area
131.66 Ų
Computed LogP
13.46
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
3-({4-[(E)-(2,6-Dichlorophenyl)diazenyl]-1-hydroxy-2-naphthoyl}amino)-4-[methyl(octadecyl)amino]benzenesulfonic acid (CAS 478250-31-6) is maintained as a commercial cas reference with formula C42H54Cl2N4O5S, molecular weight 797. 90 g/mol, PubChem CID 3768481.
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.