Research chemical
CAS Number: 2865841-81-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
162679299
Exact Mass
725.195164
InChIKey
TUOSAPKOJRLJAP-JZFXKNFZSA-N
IUPAC Name
4-[[4-chloro-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-difluoromethoxy]-2-[[[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]methyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILES String
Cc1c(-c2ccc3c(c2)OCCO3)cccc1C(F)(F)Oc1cc(OCc2ccnc(C#N)c2)c(CN[C@@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1Cl
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.
PD-1/PD-L1-IN-13 is identified by CAS 2865841-81-0, with molecular formula C36H34ClF2N3O9, molecular weight 726.1, InChIKey TUOSAPKOJRLJAP-JZFXKNFZSA-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
51
H-bond acceptors
12
H-bond donors
5
Rotatable bonds
11
Ring count
6
Aromatic rings
4
Topological polar surface area
175.78 Ų
Computed LogP
3.95
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
PD-1/PD-L1-IN-13 (CAS 2865841-81-0) is maintained as a commercial cas reference with formula C36H34ClF2N3O9, molecular weight 726. 10 g/mol, PubChem CID 162679299.
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.