Research chemical
CAS Number: 21429-42-5
![2-[[5-Acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl](2-hydroxyethyl)amino]ethyl acetate molecular structure, CAS 21429-42-5](/structure-images/21429-42-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
88895
Exact Mass
538.121504
InChIKey
PTFFWQCVPCXSOG-UHFFFAOYSA-N
IUPAC Name
2-[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)-2-methoxyanilino]ethyl acetate
SMILES String
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCO)CCOC(=O)C
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2-[[5-Acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl](2-hydroxyethyl)amino]ethyl acetate is identified by CAS 21429-42-5, with molecular formula C21H23ClN6O9, molecular weight 538.9, InChIKey PTFFWQCVPCXSOG-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
37
H-bond acceptors
15
H-bond donors
2
Rotatable bonds
12
Ring count
2
Aromatic rings
2
Topological polar surface area
199.1 Ų
Computed LogP
3.9
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
2-[[5-Acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl](2-hydroxyethyl)amino]ethyl acetate (CAS 21429-42-5) is maintained as a commercial cas reference with formula C21H23ClN6O9, molecular weight 538. 90 g/mol, PubChem CID 88895.
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.