5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
TL;DR: 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil (CAS 123027-54-3) is a chemical compound with molecular formula C13H13ClN2O4S and molecular weight 328.02844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-1-(2-hydroxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
Also Known As: 5-Cl-HEPU, 6-SPhT-analog, 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil, 5-Chloro-1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)uracil, 2,4(1H,3H)-Pyrimidinedione,5-chloro-1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-
Technical Specifications
| Molecular Formula | C13H13ClN2O4S |
| Molecular Weight | 328.02844 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.02844 Da |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
| SMILES | C1=CC=C(C=C1)SC2=C(C(=O)NC(=O)N2COCCO)Cl |
| InChIKey | XVLLTVWETVJGPU-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
Property Insights of 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil. Following Lipinski's Rule of Five, 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil 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
What is the CAS number of 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
The CAS number of 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil is 123027-54-3.
What is the molecular formula of 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
The molecular formula of 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil is C13H13ClN2O4S.
What is the molecular weight of 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
The molecular weight of 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil is 328.02844 g/mol.
Where can I buy 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
You can request a quote for 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.