Apholate
TL;DR: Apholate (CAS 52-46-0) is a chemical compound with molecular formula C12H24N9P3 and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H24N9P3 |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.13675 |
| Heavy Atoms | 24 |
| Complexity | 592.0 |
| Melting Point | 147.5 °C (CRYSTALLIZED FROM HEPTANE); 154-154.5 °C (CRYSTALLIZED FROM ETHYLACETATE) |
Chemical Identifiers
| CAS Number | 52-46-0 |
|---|---|
| SMILES | C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7 |
| InChIKey | PXZAWHSJYIECNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Apholate (CAS 52-46-0), with molecular formula C12H24N9P3 and molecular weight 387.14 g/mol. IUPAC: 2,2,4,4,6,6-hexakis(aziridin-1-yl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
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
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 387.14 g/mol.
Where can I buy Apholate?
You can request a quote for Apholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apholate?
Yes, KEHONG BIO provides custom synthesis services for Apholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.