呋拉茶碱
TL;DR: 呋拉茶碱 (CAS 80288-49-9) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
呋拉茶碱
3-(furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
Also Known As: Furafylline, Furafilina, Furafyllinum, Furafylline [INN], Furafilina [Spanish]
| Molecular Formula | C12H12N4O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.09094 |
| Heavy Atoms | 19 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 80288-49-9 |
|---|---|
| SMILES | CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C |
| InChIKey | KGQZGCIVHYLPBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
呋拉茶碱 (CAS 80288-49-9), with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol. IUPAC: 3-(furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 呋拉茶碱
Property Insights of 呋拉茶碱
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 呋拉茶碱. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 呋拉茶碱. Following Lipinski's Rule of Five, 呋拉茶碱 has 1 hydrogen bond donor(s) and 4 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 呋拉茶碱?
The CAS number of 呋拉茶碱 is 80288-49-9.
What is the molecular formula of 呋拉茶碱?
The molecular formula of 呋拉茶碱 is C12H12N4O3.
What is the molecular weight of 呋拉茶碱?
The molecular weight of 呋拉茶碱 is 260.09 g/mol.
Where can I buy 呋拉茶碱?
You can request a quote for 呋拉茶碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 呋拉茶碱?
Yes, KEHONG BIO provides custom synthesis services for 呋拉茶碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.