Research chemical
CAS Number: 1198769-38-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
78357825
Exact Mass
718.340273
InChIKey
TUNUVJALSUOKOC-VPJFHDDISA-N
IUPAC Name
4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one;hydrate
SMILES String
CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F.O
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.
Posaconazole (hydrate) is identified by CAS 1198769-38-8, with molecular formula C37H44F2N8O5, molecular weight 718.8, InChIKey TUNUVJALSUOKOC-VPJFHDDISA-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
52
H-bond acceptors
13
H-bond donors
3
Rotatable bonds
12
Ring count
7
Aromatic rings
5
Topological polar surface area
147.2 Ų
Computed LogP
3.75
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
Posaconazole (hydrate) (CAS 1198769-38-8) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C37H44F2N8O5 and molecular weight 718. 80 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS 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.