Methyl apholate
TL;DR: Methyl apholate (CAS 3527-55-7) is a chemical compound with molecular formula C18H36N9P3 and molecular weight 471.23 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(2-methylaziridin-1-yl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
Also Known As: Methyl apholate, AI3-50123, NCI60_004435, Hexa(2-methylaziridinyl)cyclotriphosphazene, Hexakis(2-methyl-1-aziridinyl)phosphonitrile
| Molecular Formula | C18H36N9P3 |
|---|---|
| Molecular Weight | 471.23 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.23065 |
| Heavy Atoms | 30 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 3527-55-7 |
|---|---|
| SMILES | CC1CN1P2(=NP(=NP(=N2)(N3CC3C)N4CC4C)(N5CC5C)N6CC6C)N7CC7C |
| InChIKey | NGZPBOGBIKWFQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl apholate (CAS 3527-55-7), with molecular formula C18H36N9P3 and molecular weight 471.23 g/mol. IUPAC: 2,2,4,4,6,6-hexakis(2-methylaziridin-1-yl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
Chemical Property Profile of Methyl apholate
Property Insights of Methyl apholate
The XLogP value of 3.2 indicates that Methyl apholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Methyl apholate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl apholate?
The CAS number of Methyl apholate is 3527-55-7.
What is the molecular formula of Methyl apholate?
The molecular formula of Methyl apholate is C18H36N9P3.
What is the molecular weight of Methyl apholate?
The molecular weight of Methyl apholate is 471.23 g/mol.
Where can I buy Methyl apholate?
You can request a quote for Methyl apholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl apholate?
Yes, KEHONG BIO provides custom synthesis services for Methyl apholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.