6-O-(2-Furoyl)castanospermine
TL;DR: 6-O-(2-Furoyl)castanospermine (CAS 121104-92-5) is a chemical compound with molecular formula C13H17NO6 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] furan-2-carboxylate
Also Known As: 6-O-(2-Furoyl)castanospermine, Castanospermine, 6-O-furoyl-, MD 28,653, 1,7,8-Trihydroxyoctahydroindolizin-6-yl furan-2-carboxylate, 2-Furancarboxylic acid, octahydro-1,7,8-trihydroxy-6-indolizinyl ester, (1S-(1alpha,6beta,7alpha,8beta,8abeta))-
| Molecular Formula | C13H17NO6 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.1056 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 121104-92-5 |
|---|---|
| SMILES | C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)OC(=O)C3=CC=CO3 |
| InChIKey | LKDPZAZJAHYOCB-KXMNOHPDSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-O-(2-Furoyl)castanospermine (CAS 121104-92-5), with molecular formula C13H17NO6 and molecular weight 283.11 g/mol. IUPAC: [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] furan-2-carboxylate.
Chemical Property Profile of 6-O-(2-Furoyl)castanospermine
Property Insights of 6-O-(2-Furoyl)castanospermine
The XLogP value of -0.6 indicates that 6-O-(2-Furoyl)castanospermine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-O-(2-Furoyl)castanospermine. Following Lipinski's Rule of Five, 6-O-(2-Furoyl)castanospermine has 3 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 6-O-(2-Furoyl)castanospermine?
The CAS number of 6-O-(2-Furoyl)castanospermine is 121104-92-5.
What is the molecular formula of 6-O-(2-Furoyl)castanospermine?
The molecular formula of 6-O-(2-Furoyl)castanospermine is C13H17NO6.
What is the molecular weight of 6-O-(2-Furoyl)castanospermine?
The molecular weight of 6-O-(2-Furoyl)castanospermine is 283.11 g/mol.
Where can I buy 6-O-(2-Furoyl)castanospermine?
You can request a quote for 6-O-(2-Furoyl)castanospermine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-(2-Furoyl)castanospermine?
Yes, KEHONG BIO provides custom synthesis services for 6-O-(2-Furoyl)castanospermine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.