Research chemical
CAS Number: 31042-44-1
![5-(4-{(E)-[4-(diethylamino)phenyl]diazenyl}-3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid molecular structure, CAS 31042-44-1](/structure-images/31042-44-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3144916
Exact Mass
745.423691
InChIKey
YQLZEQOTTUMWTP-UHFFFAOYSA-N
IUPAC Name
5-[4-[[4-(diethylamino)phenyl]diazenyl]-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
SMILES String
CCCCCCCCCCCCCCCCCC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)C(=O)C1N=Nc1ccc(N(CC)CC)cc1
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.
5-(4-{(E)-[4-(diethylamino)phenyl]diazenyl}-3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid is identified by CAS 31042-44-1, with molecular formula C42H59N5O5S, molecular weight 746, InChIKey YQLZEQOTTUMWTP-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
53
H-bond acceptors
10
H-bond donors
1
Rotatable bonds
25
Ring count
4
Aromatic rings
3
Topological polar surface area
124.23 Ų
Computed LogP
11.69
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
5-(4-{(E)-[4-(diethylamino)phenyl]diazenyl}-3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid (CAS 31042-44-1) is maintained as a commercial cas reference with formula C42H59N5O5S, molecular weight 746.
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.