Apholate
TL;DR: Apholate (CAS 52-46-0) is a chemical compound with molecular formula C12H24N9P3 and molecular weight 387.13675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,4,4,6,6-hexakis(aziridin-1-yl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
Also Known As: APHOLATE, Pholate, Afolat, Afolat [Czech], Myko 63
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H24N9P3 |
| Molecular Weight | 387.13675 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.13675 Da |
| Heavy Atoms | 24 |
| Complexity | 592.0 |
| Melting Point | 147.5 °C (CRYSTALLIZED FROM HEPTANE); 154-154.5 °C (CRYSTALLIZED FROM ETHYLACETATE) |
| SMILES | C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7 |
| InChIKey | PXZAWHSJYIECNQ-UHFFFAOYSA-N |
Product Description
Applications: Apholate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Apholate (CAS 52-46-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Apholate (CAS 52-46-0) is a heterocyclic building block with the molecular formula C12H24N9P3 and a molecular weight of 387.14 g/mol. It is also known as APHOLATE and Pholate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Apholate
Property Insights of Apholate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apholate. With a topological polar surface area (TPSA) of 55.1 Ų, Apholate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Apholate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Apholate?
The CAS number of Apholate is 52-46-0.
What is the molecular formula of Apholate?
The molecular formula of Apholate is C12H24N9P3.
What is the molecular weight of Apholate?
The molecular weight of Apholate is 387.13675 g/mol.
What are the applications of Apholate?
Apholate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Apholate (CAS 52-46-0) with...
Where can I buy Apholate?
You can request a quote for Apholate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Apholate?
Yes, CoreyChem provides custom synthesis services for Apholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.