Dimethyl Isosorbide
TL;DR: Dimethyl Isosorbide (CAS 5306-85-4) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
Also Known As: Isosorbide dimethyl ether, Dimethyl isosorbide, Arlasolve DMI, Dottisol, 2,5-Dimethylisosorbide
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 5306-85-4 |
|---|---|
| SMILES | CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC |
| InChIKey | MEJYDZQQVZJMPP-ULAWRXDQSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl Isosorbide (CAS 5306-85-4), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: (3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
Chemical Property Profile of Dimethyl Isosorbide
Property Insights of Dimethyl Isosorbide
The XLogP value of -0.6 indicates that Dimethyl Isosorbide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.9 Ų, Dimethyl Isosorbide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl Isosorbide has 0 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 Dimethyl Isosorbide?
The CAS number of Dimethyl Isosorbide is 5306-85-4.
What is the molecular formula of Dimethyl Isosorbide?
The molecular formula of Dimethyl Isosorbide is C8H14O4.
What is the molecular weight of Dimethyl Isosorbide?
The molecular weight of Dimethyl Isosorbide is 174.09 g/mol.
Where can I buy Dimethyl Isosorbide?
You can request a quote for Dimethyl Isosorbide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl Isosorbide?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl Isosorbide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.