(4-Hydroxy-2-oxo-butyl)thymine
TL;DR: (4-Hydroxy-2-oxo-butyl)thymine (CAS 94426-69-4) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-2-oxobutyl)-5-methylpyrimidine-2,4-dione
Also Known As: (4-Hydroxy-2-oxo-butyl)thymine, HOCH2CH2C=OCH2-thymine, 1-(4-hydroxy-2-oxobutyl)-5-methylpyrimidine-2,4-dione, 1-(4-Hydroxy-2-oxobutyl)-5-methylpyrimidine-2,4(1H,3H)-dione, 1-(4-hydroxy-2-oxo-butyl)-5-methyl-pyrimidine-2,4-dione
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 94426-69-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)CC(=O)CCO |
| InChIKey | HMEZZTKFWMSKSI-UHFFFAOYSA-N |
Product Overview
(4-Hydroxy-2-oxo-butyl)thymine (CAS 94426-69-4), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: 1-(4-hydroxy-2-oxobutyl)-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of (4-Hydroxy-2-oxo-butyl)thymine
Property Insights of (4-Hydroxy-2-oxo-butyl)thymine
The XLogP value of -1.4 indicates that (4-Hydroxy-2-oxo-butyl)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Hydroxy-2-oxo-butyl)thymine. Following Lipinski's Rule of Five, (4-Hydroxy-2-oxo-butyl)thymine has 2 hydrogen bond donor(s) and 4 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 (4-Hydroxy-2-oxo-butyl)thymine?
The CAS number of (4-Hydroxy-2-oxo-butyl)thymine is 94426-69-4.
What is the molecular formula of (4-Hydroxy-2-oxo-butyl)thymine?
The molecular formula of (4-Hydroxy-2-oxo-butyl)thymine is C9H12N2O4.
What is the molecular weight of (4-Hydroxy-2-oxo-butyl)thymine?
The molecular weight of (4-Hydroxy-2-oxo-butyl)thymine is 212.08 g/mol.
Where can I buy (4-Hydroxy-2-oxo-butyl)thymine?
You can request a quote for (4-Hydroxy-2-oxo-butyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Hydroxy-2-oxo-butyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for (4-Hydroxy-2-oxo-butyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.