Barbital N-glucoside
TL;DR: Barbital N-glucoside (CAS 106476-71-5) is a chemical compound with molecular formula C14H22N2O8 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
Also Known As: Barbital N-glucoside, 5,5-Diethyl-1-beta-D-glucopyranosylbarbituric acid, J3.088.593G, Barbituric acid, 5,5-diethyl-1-beta-D-glucopyranosyl-, 5,5-diethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C14H22N2O8 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1376 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 106476-71-5 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC |
| InChIKey | ALDUFTZQPLCBID-HOTMZDKISA-N |
Product Overview
Barbital N-glucoside (CAS 106476-71-5), with molecular formula C14H22N2O8 and molecular weight 346.14 g/mol. IUPAC: 5,5-diethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbital N-glucoside
Property Insights of Barbital N-glucoside
The XLogP value of -1.5 indicates that Barbital N-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Barbital N-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barbital N-glucoside has 5 hydrogen bond donor(s) and 8 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 Barbital N-glucoside?
The CAS number of Barbital N-glucoside is 106476-71-5.
What is the molecular formula of Barbital N-glucoside?
The molecular formula of Barbital N-glucoside is C14H22N2O8.
What is the molecular weight of Barbital N-glucoside?
The molecular weight of Barbital N-glucoside is 346.14 g/mol.
Where can I buy Barbital N-glucoside?
You can request a quote for Barbital N-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbital N-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Barbital N-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.