Phenobarbital-N-glucoside
TL;DR: Phenobarbital-N-glucoside (CAS 72209-10-0) is a chemical compound with molecular formula C18H22N2O8 and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-phenyl-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: 1-Gppb, Phenobarbital-N-glucoside, Phenobarbital N-?-D-Glucoside, Phenobarbital N-b-D-Glucoside, (S)-Phenobarbitone N-glucoside
| Molecular Formula | C18H22N2O8 |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1376 |
| Heavy Atoms | 28 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 72209-10-0 |
|---|---|
| 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)C3=CC=CC=C3 |
| InChIKey | KKRIJCSEOJCKLM-KBBLASEFSA-N |
Product Overview
Phenobarbital-N-glucoside (CAS 72209-10-0), with molecular formula C18H22N2O8 and molecular weight 394.14 g/mol. IUPAC: 5-ethyl-5-phenyl-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 Phenobarbital-N-glucoside
Property Insights of Phenobarbital-N-glucoside
The XLogP value of -0.7 indicates that Phenobarbital-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 Phenobarbital-N-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenobarbital-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 Phenobarbital-N-glucoside?
The CAS number of Phenobarbital-N-glucoside is 72209-10-0.
What is the molecular formula of Phenobarbital-N-glucoside?
The molecular formula of Phenobarbital-N-glucoside is C18H22N2O8.
What is the molecular weight of Phenobarbital-N-glucoside?
The molecular weight of Phenobarbital-N-glucoside is 394.14 g/mol.
Where can I buy Phenobarbital-N-glucoside?
You can request a quote for Phenobarbital-N-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenobarbital-N-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Phenobarbital-N-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.