Isosorbide-2,5-diaspirinate
TL;DR: Isosorbide-2,5-diaspirinate (CAS 208338-33-4) is a chemical compound with molecular formula C24H22O10 and molecular weight 470.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6R,6aR)-6-(2-acetyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-acetyloxybenzoate
Also Known As: isosorbide-2,5-diaspirinate, 2,5-Bis-O-[2-(acetyloxy)benzoyl]-1,4:3,6-dianhydro-D-glucitol, D-Glucitol, 1,4:3,6-dianhydro-, 2,5-bis[2-(acetyloxy)benzoate], [(1S,2R,5S,6S)-6-(2-acetyloxybenzoyl)oxy-4,8-dioxabicyclo[3.3.0]oct-2-yl] 2-acetyloxybenzoate, [(3S,3aR,6R,6aR)-6-(2-acetyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-acetyloxybenzoate
| Molecular Formula | C24H22O10 |
|---|---|
| Molecular Weight | 470.12 g/mol |
| LogP | 2.0858 |
| Topological Polar Surface Area | 123.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.1213 |
| Heavy Atoms | 34 |
| Complexity | 1022.93744 |
Chemical Identifiers
| CAS Number | 208338-33-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC(=O)C4=CC=CC=C4OC(=O)C |
Product Overview
Isosorbide-2,5-diaspirinate (CAS 208338-33-4), with molecular formula C24H22O10 and molecular weight 470.12 g/mol. IUPAC: [(3S,3aR,6R,6aR)-6-(2-acetyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-acetyloxybenzoate.
Chemical Property Profile of Isosorbide-2,5-diaspirinate
Property Insights of Isosorbide-2,5-diaspirinate
The XLogP value of 2.0858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isosorbide-2,5-diaspirinate. The TPSA of 123.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Isosorbide-2,5-diaspirinate. Following Lipinski's Rule of Five, Isosorbide-2,5-diaspirinate has 0 hydrogen bond donor(s) and 10 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 Isosorbide-2,5-diaspirinate?
The CAS number of Isosorbide-2,5-diaspirinate is 208338-33-4.
What is the molecular formula of Isosorbide-2,5-diaspirinate?
The molecular formula of Isosorbide-2,5-diaspirinate is C24H22O10.
What is the molecular weight of Isosorbide-2,5-diaspirinate?
The molecular weight of Isosorbide-2,5-diaspirinate is 470.12 g/mol.
Where can I buy Isosorbide-2,5-diaspirinate?
You can request a quote for Isosorbide-2,5-diaspirinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosorbide-2,5-diaspirinate?
Yes, KEHONG BIO provides custom synthesis services for Isosorbide-2,5-diaspirinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.