Dioxyline phosphate
TL;DR: Dioxyline phosphate (CAS 5667-46-9) is a chemical compound with molecular formula C22H28NO8P and molecular weight 465.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinoline;phosphoric acid
Also Known As: Dioxyline phosphate, Paveril phosphate, Paverone, Livera, Dioxylium phosphate
| Molecular Formula | C22H28NO8P |
|---|---|
| Molecular Weight | 465.16 g/mol |
| LogP | 3.63 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.15524 |
| Heavy Atoms | 32 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 5667-46-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC2=NC(=CC3=CC(=C(C=C32)OC)OC)C)OC.OP(=O)(O)O |
| InChIKey | YZKZXTBSUSEYQZ-UHFFFAOYSA-N |
Product Overview
Dioxyline phosphate (CAS 5667-46-9), with molecular formula C22H28NO8P and molecular weight 465.16 g/mol. IUPAC: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinoline;phosphoric acid.
Chemical Property Profile of Dioxyline phosphate
Property Insights of Dioxyline phosphate
The XLogP value of 3.63 indicates that Dioxyline phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dioxyline phosphate. Following Lipinski's Rule of Five, Dioxyline phosphate has 3 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 Dioxyline phosphate?
The CAS number of Dioxyline phosphate is 5667-46-9.
What is the molecular formula of Dioxyline phosphate?
The molecular formula of Dioxyline phosphate is C22H28NO8P.
What is the molecular weight of Dioxyline phosphate?
The molecular weight of Dioxyline phosphate is 465.16 g/mol.
Where can I buy Dioxyline phosphate?
You can request a quote for Dioxyline phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioxyline phosphate?
Yes, KEHONG BIO provides custom synthesis services for Dioxyline phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.