1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil
TL;DR: 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil (CAS 139593-10-5) is a chemical compound with molecular formula C9H12ClFN2O4 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-chloroethoxy)ethoxymethyl]-5-fluoro-1H-pyrimidine-2,4-dione
Also Known As: Ceem-5-FU, 3-[2-(2-chloroethoxy)ethoxymethyl]-5-fluoro-1H-pyrimidine-2,4-dione, 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil, 2,4(1H,3H)-Pyrimidinedione, 3-((2-(2-chloroethoxy)ethoxy)methyl)-5-fluoro-, 3-{[2-(2-Chloroethoxy)ethoxy]methyl}-5-fluoro-2-hydroxypyrimidin-4(3H)-one
| Molecular Formula | C9H12ClFN2O4 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.04697 |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 139593-10-5 |
|---|---|
| SMILES | C1=C(C(=O)N(C(=O)N1)COCCOCCCl)F |
| InChIKey | HBDDBWKDIFHOBO-UHFFFAOYSA-N |
Product Overview
1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil (CAS 139593-10-5), with molecular formula C9H12ClFN2O4 and molecular weight 266.05 g/mol. IUPAC: 3-[2-(2-chloroethoxy)ethoxymethyl]-5-fluoro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil
Property Insights of 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil
The XLogP value of -0.2 indicates that 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil. Following Lipinski's Rule of Five, 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil has 1 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 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil?
The CAS number of 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil is 139593-10-5.
What is the molecular formula of 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil?
The molecular formula of 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil is C9H12ClFN2O4.
What is the molecular weight of 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil?
The molecular weight of 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil is 266.05 g/mol.
Where can I buy 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil?
You can request a quote for 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-(2-Chloroethoxy)ethoxy)methyl)-5-fluorouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.