1-((2-Chloroethoxy)methyl)-5-fluorouracil
TL;DR: 1-((2-Chloroethoxy)methyl)-5-fluorouracil (CAS 139593-08-1) is a chemical compound with molecular formula C7H8ClFN2O3 and molecular weight 222.02075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chloroethoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
Also Known As: Cem-5-FU, 3-(2-chloroethoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione, 1-((2-Chloroethoxy)methyl)-5-fluorouracil, 2,4(1H,3H)-Pyrimidinedione, 3-((2-chloroethoxy)methyl)-5-fluoro-, 1-(2-chloroethoxymethyl)-5-fluoropyrimidine-2,4-dione
Technical Specifications
| Molecular Formula | C7H8ClFN2O3 |
| Molecular Weight | 222.02075 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.02075 Da |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
| SMILES | C1=C(C(=O)N(C(=O)N1)COCCCl)F |
| InChIKey | UYXKFHCNKQKPOF-UHFFFAOYSA-N |
Chemical Property Profile of 1-((2-Chloroethoxy)methyl)-5-fluorouracil
Property Insights of 1-((2-Chloroethoxy)methyl)-5-fluorouracil
The XLogP value of -0.1 indicates that 1-((2-Chloroethoxy)methyl)-5-fluorouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.6 Ų, 1-((2-Chloroethoxy)methyl)-5-fluorouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2-Chloroethoxy)methyl)-5-fluorouracil has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-((2-Chloroethoxy)methyl)-5-fluorouracil?
The CAS number of 1-((2-Chloroethoxy)methyl)-5-fluorouracil is 139593-08-1.
What is the molecular formula of 1-((2-Chloroethoxy)methyl)-5-fluorouracil?
The molecular formula of 1-((2-Chloroethoxy)methyl)-5-fluorouracil is C7H8ClFN2O3.
What is the molecular weight of 1-((2-Chloroethoxy)methyl)-5-fluorouracil?
The molecular weight of 1-((2-Chloroethoxy)methyl)-5-fluorouracil is 222.02075 g/mol.
Where can I buy 1-((2-Chloroethoxy)methyl)-5-fluorouracil?
You can request a quote for 1-((2-Chloroethoxy)methyl)-5-fluorouracil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((2-Chloroethoxy)methyl)-5-fluorouracil?
Yes, CoreyChem provides custom synthesis services for 1-((2-Chloroethoxy)methyl)-5-fluorouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.