7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline
TL;DR: 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline (CAS 142270-03-9) is a chemical compound with molecular formula C13H13FN4O5 and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2R,6R)-4-fluoro-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]-1,3-dimethylpurine-2,6-dione
Also Known As: Dfh-theophylline, 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline, 7-(3-Deoxy-3-fluoro-beta-D-glycero-hex-2-enopyranosyl-4-ulose)theophylline, 9-[(2R,6R)-4-fluoro-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]-1,3-dimethylpurine-2,6-dione, 1H-Purine-2,6-dione, 9-(4-fluoro-5,6-dihydro-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl)-3,9-dihydro-1,3-dimethyl-, (2R-cis)-
| Molecular Formula | C13H13FN4O5 |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | -1.2541 |
| Topological Polar Surface Area | 108.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.087 |
| Heavy Atoms | 23 |
| Complexity | 953.6512 |
Chemical Identifiers
| CAS Number | 142270-03-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N=CN2[C@H]3C=C(C(=O)[C@H](O3)CO)F |
Product Overview
7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline (CAS 142270-03-9), with molecular formula C13H13FN4O5 and molecular weight 324.09 g/mol. IUPAC: 9-[(2R,6R)-4-fluoro-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline
Property Insights of 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline
The XLogP value of -1.2541 indicates that 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline. Following Lipinski's Rule of Five, 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline has 1 hydrogen bond donor(s) and 6 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 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline?
The CAS number of 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline is 142270-03-9.
What is the molecular formula of 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline?
The molecular formula of 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline is C13H13FN4O5.
What is the molecular weight of 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline?
The molecular weight of 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline is 324.09 g/mol.
Where can I buy 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline?
You can request a quote for 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.