3-Pentofuranosylpyrimidin-4(3h)-one
TL;DR: 3-Pentofuranosylpyrimidin-4(3h)-one (CAS 515-44-6) is a chemical compound with molecular formula C9H12N2O5 and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
Also Known As: 3-pentofuranosylpyrimidin-4(3h)-one, 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
| Molecular Formula | C9H12N2O5 |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.07462 |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 515-44-6 |
|---|---|
| SMILES | C1=CN=CN(C1=O)C2C(C(C(O2)CO)O)O |
| InChIKey | KOCMVSNGUFLMHS-UHFFFAOYSA-N |
Product Overview
3-Pentofuranosylpyrimidin-4(3h)-one (CAS 515-44-6), with molecular formula C9H12N2O5 and molecular weight 228.07 g/mol. IUPAC: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one.
Chemical Property Profile of 3-Pentofuranosylpyrimidin-4(3h)-one
Property Insights of 3-Pentofuranosylpyrimidin-4(3h)-one
The XLogP value of -1.6 indicates that 3-Pentofuranosylpyrimidin-4(3h)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pentofuranosylpyrimidin-4(3h)-one. Following Lipinski's Rule of Five, 3-Pentofuranosylpyrimidin-4(3h)-one has 3 hydrogen bond donor(s) and 6 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-Pentofuranosylpyrimidin-4(3h)-one?
The CAS number of 3-Pentofuranosylpyrimidin-4(3h)-one is 515-44-6.
What is the molecular formula of 3-Pentofuranosylpyrimidin-4(3h)-one?
The molecular formula of 3-Pentofuranosylpyrimidin-4(3h)-one is C9H12N2O5.
What is the molecular weight of 3-Pentofuranosylpyrimidin-4(3h)-one?
The molecular weight of 3-Pentofuranosylpyrimidin-4(3h)-one is 228.07 g/mol.
Where can I buy 3-Pentofuranosylpyrimidin-4(3h)-one?
You can request a quote for 3-Pentofuranosylpyrimidin-4(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentofuranosylpyrimidin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentofuranosylpyrimidin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.