3-Desmethyl Istradefylline
TL;DR: 3-Desmethyl Istradefylline (CAS 160434-48-0) is a chemical compound with molecular formula C19H22N4O4 and molecular weight 370.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-8-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-7-methylpurine-2,6-dione
Also Known As: 3-Desmethyl Istradefylline, Istradefylline Impurity 3, 2-Desmethyl Istradefylline, Istradefylline Impurity 43, (E)-1,3-Diethyl-8-(3-hydroxy-4-methoxystyryl)-7-methylxanthine
| Molecular Formula | C19H22N4O4 |
|---|---|
| Molecular Weight | 370.16 g/mol |
| LogP | 1.8211 |
| Topological Polar Surface Area | 91.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.1641 |
| Heavy Atoms | 27 |
| Complexity | 1151.1968 |
Chemical Identifiers
| CAS Number | 160434-48-0 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OC)O)C |
Product Overview
3-Desmethyl Istradefylline (CAS 160434-48-0), with molecular formula C19H22N4O4 and molecular weight 370.16 g/mol. IUPAC: 1,3-diethyl-8-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-7-methylpurine-2,6-dione.
Chemical Property Profile of 3-Desmethyl Istradefylline
Property Insights of 3-Desmethyl Istradefylline
The XLogP value of 1.8211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Desmethyl Istradefylline. The TPSA of 91.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Desmethyl Istradefylline. Following Lipinski's Rule of Five, 3-Desmethyl Istradefylline has 1 hydrogen bond donor(s) and 5 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 3-Desmethyl Istradefylline?
The CAS number of 3-Desmethyl Istradefylline is 160434-48-0.
What is the molecular formula of 3-Desmethyl Istradefylline?
The molecular formula of 3-Desmethyl Istradefylline is C19H22N4O4.
What is the molecular weight of 3-Desmethyl Istradefylline?
The molecular weight of 3-Desmethyl Istradefylline is 370.16 g/mol.
Where can I buy 3-Desmethyl Istradefylline?
You can request a quote for 3-Desmethyl Istradefylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Desmethyl Istradefylline?
Yes, KEHONG BIO provides custom synthesis services for 3-Desmethyl Istradefylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.