Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate
TL;DR: Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate (CAS 52771-14-9) is a chemical compound with molecular formula C13H18O9 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-diacetyloxy-5-(acetyloxymethyl)oxolane-2-carboxylate
Also Known As: methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate, 3(2H)-Pyridazinone,2-(1-methylethyl)-6-(phenylethynyl), methyl 3,4-diacetyloxy-5-(acetyloxymethyl)oxolane-2-carboxylate, 2-(acetoxymethyl)-5-(methoxycarbonyl)tetrahydrofuran-3,4-diyl diacetate
| Molecular Formula | C13H18O9 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.0951 |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 52771-14-9 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)C(=O)OC)OC(=O)C)OC(=O)C |
| InChIKey | BQVGALFPSBRPQD-UHFFFAOYSA-N |
Product Overview
Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate (CAS 52771-14-9), with molecular formula C13H18O9 and molecular weight 318.10 g/mol. IUPAC: methyl 3,4-diacetyloxy-5-(acetyloxymethyl)oxolane-2-carboxylate.
Chemical Property Profile of Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate
Property Insights of Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate
The XLogP value of -0.3 indicates that Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate. Following Lipinski's Rule of Five, Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate has 0 hydrogen bond donor(s) and 9 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 Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate?
The CAS number of Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate is 52771-14-9.
What is the molecular formula of Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate?
The molecular formula of Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate is C13H18O9.
What is the molecular weight of Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate?
The molecular weight of Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate is 318.10 g/mol.
Where can I buy Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate?
You can request a quote for Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.