Research chemical
CAS Number: 664968-36-9
![5-chloro-2-[(10H-phenothiazin-10-ylcarbonyl)amino]phenyl 10H-phenothiazine-10-carboxylate molecular structure, CAS 664968-36-9](/structure-images/664968-36-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4536694
Exact Mass
593.063462
InChIKey
QBVFJZSMZBGEEK-UHFFFAOYSA-N
IUPAC Name
[5-chloro-2-(phenothiazine-10-carbonylamino)phenyl] phenothiazine-10-carboxylate
SMILES String
O=C(Nc1ccc(Cl)cc1OC(=O)N1c2ccccc2Sc2ccccc21)N1c2ccccc2Sc2ccccc21
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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-chloro-2-[(10H-phenothiazin-10-ylcarbonyl)amino]phenyl 10H-phenothiazine-10-carboxylate is identified by CAS 664968-36-9, with molecular formula C32H20ClN3O3S2, molecular weight 594.1, InChIKey QBVFJZSMZBGEEK-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
41
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
2
Ring count
7
Aromatic rings
5
Topological polar surface area
61.88 Ų
Computed LogP
9.98
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-chloro-2-[(10H-phenothiazin-10-ylcarbonyl)amino]phenyl 10H-phenothiazine-10-carboxylate (CAS 664968-36-9) is maintained as a commercial cas reference with formula C32H20ClN3O3S2, molecular weight 594. 10 g/mol, PubChem CID 4536694.
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.