Mag-6BUT
TL;DR: Mag-6BUT (CAS 125161-48-0) is a chemical compound with molecular formula C13H22O7 and molecular weight 290.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl] butanoate
Also Known As: Mag-6BUT, Monoacetone glucose 6-butyrate, 6-O-Butanoyl-1,2-O-isopropylidene-alpha-D-glucofuranose, [(2R)-2-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl] butanoate, 1-O,2-O-Isopropylidene-alpha-D-glucofuranose 6-butyrate
| Molecular Formula | C13H22O7 |
|---|---|
| Molecular Weight | 290.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.13657 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 125161-48-0 |
|---|---|
| SMILES | CCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)O)O |
| InChIKey | JFNYWUOXVCFHHV-AWHZUTQYSA-N |
Product Overview
Mag-6BUT (CAS 125161-48-0), with molecular formula C13H22O7 and molecular weight 290.14 g/mol. IUPAC: [(2R)-2-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl] butanoate.
Chemical Property Profile of Mag-6BUT
Property Insights of Mag-6BUT
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mag-6BUT. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Mag-6BUT. Following Lipinski's Rule of Five, Mag-6BUT has 2 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 Mag-6BUT?
The CAS number of Mag-6BUT is 125161-48-0.
What is the molecular formula of Mag-6BUT?
The molecular formula of Mag-6BUT is C13H22O7.
What is the molecular weight of Mag-6BUT?
The molecular weight of Mag-6BUT is 290.14 g/mol.
Where can I buy Mag-6BUT?
You can request a quote for Mag-6BUT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mag-6BUT?
Yes, KEHONG BIO provides custom synthesis services for Mag-6BUT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.