Mexafylline
TL;DR: Mexafylline (CAS 80294-25-3) is a chemical compound with molecular formula C14H18N4O2 and molecular weight 274.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohex-3-en-1-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
Also Known As: Mexafylline, Mexafyllinum, mexafilina, Mexafylline [INN], Mexaphylline
| Molecular Formula | C14H18N4O2 |
|---|---|
| Molecular Weight | 274.14 g/mol |
| LogP | 1.08802 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.14297 |
| Heavy Atoms | 20 |
| Complexity | 793.8324 |
Chemical Identifiers
| CAS Number | 80294-25-3 |
|---|---|
| SMILES | CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3CCC=CC3)C |
Product Overview
Mexafylline (CAS 80294-25-3), with molecular formula C14H18N4O2 and molecular weight 274.14 g/mol. IUPAC: 3-(cyclohex-3-en-1-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of Mexafylline
Property Insights of Mexafylline
The XLogP value of 1.08802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mexafylline. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Mexafylline. Following Lipinski's Rule of Five, Mexafylline has 1 hydrogen bond donor(s) and 3 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 Mexafylline?
The CAS number of Mexafylline is 80294-25-3.
What is the molecular formula of Mexafylline?
The molecular formula of Mexafylline is C14H18N4O2.
What is the molecular weight of Mexafylline?
The molecular weight of Mexafylline is 274.14 g/mol.
Where can I buy Mexafylline?
You can request a quote for Mexafylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mexafylline?
Yes, KEHONG BIO provides custom synthesis services for Mexafylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.