Isosorbide
TL;DR: Isosorbide (CAS 652-67-5) is a chemical compound with molecular formula C6H10O4 and molecular weight 146.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
Also Known As: isosorbide, Isobide, Devicoran, Hydronol, Ismotic
| Molecular Formula | C6H10O4 |
|---|---|
| Molecular Weight | 146.06 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.0579 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
| Melting Point | 60-63 |
| Boiling Point | 175 |
| Solubility | 29 |
Chemical Identifiers
| CAS Number | 652-67-5 |
|---|---|
| SMILES | C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O |
| InChIKey | KLDXJTOLSGUMSJ-JGWLITMVSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isosorbide (CAS 652-67-5), with molecular formula C6H10O4 and molecular weight 146.06 g/mol. IUPAC: (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol.
Chemical Property Profile of Isosorbide
Property Insights of Isosorbide
The XLogP value of -1.4 indicates that Isosorbide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.9 Ų, Isosorbide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isosorbide has 2 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 Isosorbide?
The CAS number of Isosorbide is 652-67-5.
What is the molecular formula of Isosorbide?
The molecular formula of Isosorbide is C6H10O4.
What is the molecular weight of Isosorbide?
The molecular weight of Isosorbide is 146.06 g/mol.
Where can I buy Isosorbide?
You can request a quote for Isosorbide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosorbide?
Yes, KEHONG BIO provides custom synthesis services for Isosorbide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.