3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one
TL;DR: 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one (CAS 87597-94-2) is a chemical compound with molecular formula C11H15NO6 and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-2-methylpyridin-4-one
Also Known As: NCI60_003154, 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one, 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-2-methyl-pyridin-4-one, 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-2-methylpyridin-4-one
| Molecular Formula | C11H15NO6 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.08994 |
| Heavy Atoms | 18 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 87597-94-2 |
|---|---|
| SMILES | CC1=C(C(=O)C=CN1C2C(C(C(O2)CO)O)O)O |
| InChIKey | RYWYYPYGPHEYCG-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one (CAS 87597-94-2), with molecular formula C11H15NO6 and molecular weight 257.09 g/mol. IUPAC: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-2-methylpyridin-4-one.
Chemical Property Profile of 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one
Property Insights of 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one
The XLogP value of -1.0 indicates that 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one. Following Lipinski's Rule of Five, 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one has 4 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 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one?
The CAS number of 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one is 87597-94-2.
What is the molecular formula of 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one?
The molecular formula of 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one is C11H15NO6.
What is the molecular weight of 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one?
The molecular weight of 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one is 257.09 g/mol.
Where can I buy 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one?
You can request a quote for 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.