3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine
TL;DR: 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine (CAS 146369-86-0) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6R)-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
Also Known As: DH-Thymine, 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine, 3-[(6R)-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]-5-methyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 3-(5,6-dihydro-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl)-5-methyl-, (2R-cis)-, 2-Hydroxy-3-[(6R)-6-(hydroxymethyl)-5-oxo-5,6-dihydro-2H-pyran-2-yl]-5-methylpyrimidin-4(3H)-one
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 146369-86-0 |
|---|---|
| SMILES | CC1=CNC(=O)N(C1=O)C2C=CC(=O)[C@H](O2)CO |
| InChIKey | PRFLUBYDILYLCA-VEDVMXKPSA-N |
Product Overview
3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine (CAS 146369-86-0), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 3-[(6R)-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]-5-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine
Property Insights of 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine
The XLogP value of -0.6 indicates that 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine. Following Lipinski's Rule of Five, 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine has 2 hydrogen bond donor(s) and 5 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-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine?
The CAS number of 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine is 146369-86-0.
What is the molecular formula of 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine?
The molecular formula of 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine is C11H12N2O5.
What is the molecular weight of 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine?
The molecular weight of 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine is 252.07 g/mol.
Where can I buy 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine?
You can request a quote for 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Deoxyhex-2-enopyranosyl-4-ulose)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.