3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide
TL;DR: 3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide (CAS 112989-00-1) is a chemical compound with molecular formula C25H54N2O6P+ and molecular weight 509.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide
[5-(hexadecanoylamino)-4-methoxy-2-phosphonooxypentyl]-trimethylazanium
Also Known As: 3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide (9CI), [5-(hexadecanoylamino)-4-methoxy-2-phosphonooxy-pentyl]-trimethyl-azanium, [5-(hexadecanoylamino)-4-methoxy-2-phosphonooxypentyl]-trimethylazanium
| Molecular Formula | C25H54N2O6P+ |
|---|---|
| Molecular Weight | 509.37 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 23 |
| Exact Mass | 509.37195 |
| Heavy Atoms | 34 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 112989-00-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NCC(CC(C[N+](C)(C)C)OP(=O)(O)O)OC |
| InChIKey | DXOJZQXDRYLJAP-UHFFFAOYSA-O |
Product Overview
3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide (CAS 112989-00-1), with molecular formula C25H54N2O6P+ and molecular weight 509.37 g/mol. IUPAC: [5-(hexadecanoylamino)-4-methoxy-2-phosphonooxypentyl]-trimethylazanium.
Chemical Property Profile of 3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide
Property Insights of 3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide
The XLogP value of 5.5 indicates that CTK4A8066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide. Following Lipinski's Rule of Five, CTK4A8066 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4A8066?
The CAS number of CTK4A8066 is 112989-00-1.
What is the molecular formula of CTK4A8066?
The molecular formula of CTK4A8066 is C25H54N2O6P+.
What is the molecular weight of CTK4A8066?
The molecular weight of CTK4A8066 is 509.37 g/mol.
Where can I buy CTK4A8066?
You can request a quote for CTK4A8066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4A8066?
Yes, KEHONG BIO provides custom synthesis services for CTK4A8066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.