Metescufylline
TL;DR: Metescufylline (CAS 15518-82-8) is a chemical compound with molecular formula C25H31N5O8 and molecular weight 529.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;2-(7-hydroxy-4-methyl-2-oxochromen-6-yl)oxyacetic acid
Also Known As: Metescufylline, Metescufilina, Metescufyllinum, Methescufylline, Veinartan
| Molecular Formula | C25H31N5O8 |
|---|---|
| Molecular Weight | 529.22 g/mol |
| LogP | 1.04592 |
| Topological Polar Surface Area | 162.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.2173 |
| Heavy Atoms | 38 |
| Complexity | 1642.2983 |
Chemical Identifiers
| CAS Number | 15518-82-8 |
|---|---|
| SMILES | CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)O)O |
Product Overview
Metescufylline (CAS 15518-82-8), with molecular formula C25H31N5O8 and molecular weight 529.22 g/mol. IUPAC: 7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;2-(7-hydroxy-4-methyl-2-oxochromen-6-yl)oxyacetic acid.
Chemical Property Profile of Metescufylline
Property Insights of Metescufylline
The XLogP value of 1.04592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metescufylline. The TPSA of 162.03 Ų indicates high polarity, suggesting Metescufylline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Metescufylline has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Metescufylline?
The CAS number of Metescufylline is 15518-82-8.
What is the molecular formula of Metescufylline?
The molecular formula of Metescufylline is C25H31N5O8.
What is the molecular weight of Metescufylline?
The molecular weight of Metescufylline is 529.22 g/mol.
Where can I buy Metescufylline?
You can request a quote for Metescufylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metescufylline?
Yes, KEHONG BIO provides custom synthesis services for Metescufylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.