1-(Glucopyranosyl)pentobarbital
TL;DR: 1-(Glucopyranosyl)pentobarbital (CAS 17659-07-3) 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-pentan-2-yl-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-Glu-pentobarbital, 1-(Glucopyranosyl)pentobarbital, 1-(beta-D-Glucopyranosyl)pentobarbital, 5-ethyl-5-pentan-2-yl-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-(
| 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 | 599.0 |
Chemical Identifiers
| CAS Number | 17659-07-3 |
|---|---|
| SMILES | CCCC(C)C1(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 | KVCUMBIRVZPZCG-LSUXSMNCSA-N |
Product Overview
1-(Glucopyranosyl)pentobarbital (CAS 17659-07-3), with molecular formula C17H28N2O8 and molecular weight 388.18 g/mol. IUPAC: 5-ethyl-5-pentan-2-yl-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-(Glucopyranosyl)pentobarbital
Property Insights of 1-(Glucopyranosyl)pentobarbital
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Glucopyranosyl)pentobarbital. The TPSA of 157.0 Ų indicates high polarity, suggesting 1-(Glucopyranosyl)pentobarbital may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(Glucopyranosyl)pentobarbital 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-(Glucopyranosyl)pentobarbital?
The CAS number of 1-(Glucopyranosyl)pentobarbital is 17659-07-3.
What is the molecular formula of 1-(Glucopyranosyl)pentobarbital?
The molecular formula of 1-(Glucopyranosyl)pentobarbital is C17H28N2O8.
What is the molecular weight of 1-(Glucopyranosyl)pentobarbital?
The molecular weight of 1-(Glucopyranosyl)pentobarbital is 388.18 g/mol.
Where can I buy 1-(Glucopyranosyl)pentobarbital?
You can request a quote for 1-(Glucopyranosyl)pentobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Glucopyranosyl)pentobarbital?
Yes, KEHONG BIO provides custom synthesis services for 1-(Glucopyranosyl)pentobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.