7beta-D-Ribofuranosyltheophylline
TL;DR: 7beta-D-Ribofuranosyltheophylline (CAS 3001-44-3) is a chemical compound with molecular formula C12H16N4O6 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 7beta-D-Ribofuranosyltheophylline, 8-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethyl-7H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-beta-D-ribofuranosyl-, 1,4-Anhydro-1-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)pentitol, (1xi)-1,4-Anhydro-1-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)-D-ribitol
| Molecular Formula | C12H16N4O6 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.107 |
| Heavy Atoms | 22 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 3001-44-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | FMYDMYVPLRERKJ-ZRTZXPPTSA-N |
Product Overview
7beta-D-Ribofuranosyltheophylline (CAS 3001-44-3), with molecular formula C12H16N4O6 and molecular weight 312.11 g/mol. IUPAC: 8-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 7beta-D-Ribofuranosyltheophylline
Property Insights of 7beta-D-Ribofuranosyltheophylline
The XLogP value of -2.2 indicates that 7beta-D-Ribofuranosyltheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7beta-D-Ribofuranosyltheophylline. Following Lipinski's Rule of Five, 7beta-D-Ribofuranosyltheophylline has 4 hydrogen bond donor(s) and 7 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 7beta-D-Ribofuranosyltheophylline?
The CAS number of 7beta-D-Ribofuranosyltheophylline is 3001-44-3.
What is the molecular formula of 7beta-D-Ribofuranosyltheophylline?
The molecular formula of 7beta-D-Ribofuranosyltheophylline is C12H16N4O6.
What is the molecular weight of 7beta-D-Ribofuranosyltheophylline?
The molecular weight of 7beta-D-Ribofuranosyltheophylline is 312.11 g/mol.
Where can I buy 7beta-D-Ribofuranosyltheophylline?
You can request a quote for 7beta-D-Ribofuranosyltheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7beta-D-Ribofuranosyltheophylline?
Yes, KEHONG BIO provides custom synthesis services for 7beta-D-Ribofuranosyltheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.