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- 1 g
- Purity
- 98%
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CAS Number: 171228-49-2
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CAS Number
171228-49-2
PubChem CID
468595
Molecular Formula
C37H42F2N8O4
Molecular Weight
700.8 g/mol
Exact Mass
700.329708
InChIKey
RAGOYPUPXAKGKH-XAKZXMRKSA-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
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
Melting Point
17–172 °C
pKa
2.27
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Posaconazole (CAS 171228-49-2) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C37H42F2N8O4 and molecular weight 700. 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
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Sterol 14-alpha demethylase (Trypanosoma cruzi (strain CL Brener)) — 11 assays; Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 6 assays; Lanosterol 14-alpha demethylase (Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)) — 3 assays; Lanosterol 14-alpha demethylase (Aspergillus) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Sterol 14-alpha demethylase
Trypanosoma cruzi (strain CL Brener) · SINGLE PROTEIN · 11 qualifying assays · 4 documents · best pChEMBL 7.75
Experimental evidence source: ChEMBL
Steroid 17-alpha-hydroxylase/17,20 lyase
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 7.38
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 6 qualifying assays · 6 documents · best pChEMBL 7.3
Experimental evidence source: ChEMBL
Lanosterol 14-alpha demethylase
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 7.09
Experimental evidence source: ChEMBL
Lanosterol 14-alpha demethylase
Aspergillus · SINGLE PROTEIN · 4 qualifying assays · 2 documents · best pChEMBL 6.88
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog 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 is identified by CAS 171228-49-2, with molecular formula C37H42F2N8O4, molecular weight 700.8, InChIKey RAGOYPUPXAKGKH-XAKZXMRKSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Sterol 14-alpha demethylase, Steroid 17-alpha-hydroxylase/17,20 lyase, Cytochrome P450 3A4, Lanosterol 14-alpha demethylase, Lanosterol 14-alpha demethylase. These records do not establish therapeutic efficacy or clinical use.
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.
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