1-(beta-D-glucopyranosyl)amobarbital
TL;DR: 1-(beta-D-glucopyranosyl)amobarbital (CAS 69093-97-6) is a chemical compound with molecular formula C17H28N2O8 and molecular weight 388.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(3-methylbutyl)-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-(beta-D-Glucopyranosyl)amobarbital, 5-ethyl-5-(3-methylbutyl)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione, 5-Ethyl-1-beta-D-glucopyranosyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-Ethyl-1-beta-D-glucopyranosyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione, RefChem:74618
| Molecular Formula | C17H28N2O8 |
|---|---|
| Molecular Weight | 388.18 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.18457 |
| Heavy Atoms | 27 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 69093-97-6 |
|---|---|
| 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)CCC(C)C |
| InChIKey | PKKCVZFJXARZCB-PYDJHFNHSA-N |
Product Overview
1-(beta-D-glucopyranosyl)amobarbital (CAS 69093-97-6), with molecular formula C17H28N2O8 and molecular weight 388.18 g/mol. IUPAC: 5-ethyl-5-(3-methylbutyl)-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 1-(beta-D-glucopyranosyl)amobarbital
Property Insights of 1-(beta-D-glucopyranosyl)amobarbital
The XLogP value of -0.1 indicates that 1-(beta-D-glucopyranosyl)amobarbital is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting 1-(beta-D-glucopyranosyl)amobarbital may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(beta-D-glucopyranosyl)amobarbital 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 1-(beta-D-glucopyranosyl)amobarbital?
The CAS number of 1-(beta-D-glucopyranosyl)amobarbital is 69093-97-6.
What is the molecular formula of 1-(beta-D-glucopyranosyl)amobarbital?
The molecular formula of 1-(beta-D-glucopyranosyl)amobarbital is C17H28N2O8.
What is the molecular weight of 1-(beta-D-glucopyranosyl)amobarbital?
The molecular weight of 1-(beta-D-glucopyranosyl)amobarbital is 388.18 g/mol.
Where can I buy 1-(beta-D-glucopyranosyl)amobarbital?
You can request a quote for 1-(beta-D-glucopyranosyl)amobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(beta-D-glucopyranosyl)amobarbital?
Yes, KEHONG BIO provides custom synthesis services for 1-(beta-D-glucopyranosyl)amobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.