5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione (CAS 2917-57-9) is a chemical compound with molecular formula C12H18N2O7 and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
Also Known As: 1-(1-Adamantyl)-5-methyl-1H-tetraazole, 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione, 5-ethyl-1-(d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione, 5-Ethyl-1-hexopyranosyl-4-hydroxypyrimidin-2(1H)-one, 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-beta-D-glucopyranosyl-
| Molecular Formula | C12H18N2O7 |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.1114 |
| Heavy Atoms | 21 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 2917-57-9 |
|---|---|
| SMILES | CCC1=CN(C(=O)NC1=O)C2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | NTBKDLSMBLKAOT-OGADHKOYSA-N |
Product Overview
5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione (CAS 2917-57-9), with molecular formula C12H18N2O7 and molecular weight 302.11 g/mol. IUPAC: 5-ethyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione
The XLogP value of -1.8 indicates that 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione has 5 hydrogen bond donor(s) and 7 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 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione is 2917-57-9.
What is the molecular formula of 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione is C12H18N2O7.
What is the molecular weight of 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione is 302.11 g/mol.
Where can I buy 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.