1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital
TL;DR: 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital (CAS 72209-11-1) is a chemical compound with molecular formula C26H30N2O12 and molecular weight 562.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)oxan-2-yl]methyl acetate
Also Known As: TAGPP, 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital, [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)oxan-2-yl]methyl acetate, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, (Z)-, 5-Ethyl-6-hydroxy-5-phenyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C26H30N2O12 |
|---|---|
| Molecular Weight | 562.18 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 562.1799 |
| Heavy Atoms | 40 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 72209-11-1 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C3=CC=CC=C3 |
| InChIKey | JOHOCAZCFNMEFA-KWVHEEFFSA-N |
Product Overview
1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital (CAS 72209-11-1), with molecular formula C26H30N2O12 and molecular weight 562.18 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)oxan-2-yl]methyl acetate.
Chemical Property Profile of 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital
Property Insights of 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital. The TPSA of 181.0 Ų indicates high polarity, suggesting 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital?
The CAS number of 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital is 72209-11-1.
What is the molecular formula of 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital?
The molecular formula of 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital is C26H30N2O12.
What is the molecular weight of 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital?
The molecular weight of 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital is 562.18 g/mol.
Where can I buy 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital?
You can request a quote for 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.