7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline
TL;DR: 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline (CAS 107838-94-8) is a chemical compound with molecular formula C19H24N4O7 and molecular weight 420.1645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid
Also Known As: Cpd-TH, 2,4-Dichlorphenylglyoxylonitril, 7-(6-O-(5-Carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline, 6-((5,6-Dihydro-5-oxo-6-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-9-yl)-2H-pyran-2-yl)methoxy)hexanoic acid (2S-cis)-, 6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid
Technical Specifications
| Molecular Formula | C19H24N4O7 |
| Molecular Weight | 420.1645 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.1645 Da |
| Heavy Atoms | 30 |
| Complexity | 728.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N=CN2[C@@H]3C(=O)C=C[C@H](O3)COCCCCCC(=O)O |
| InChIKey | BBNUVZSDGRQNJJ-SGTLLEGYSA-N |
Chemical Property Profile of 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline
Property Insights of 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline. Following Lipinski's Rule of Five, 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline?
The CAS number of 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline is 107838-94-8.
What is the molecular formula of 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline?
The molecular formula of 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline is C19H24N4O7.
What is the molecular weight of 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline?
The molecular weight of 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline is 420.1645 g/mol.
Where can I buy 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline?
You can request a quote for 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline?
Yes, CoreyChem provides custom synthesis services for 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.