1-((6-Chlorohexyloxy)methyl)-5-fluorouracil
TL;DR: 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil (CAS 139593-09-2) is a chemical compound with molecular formula C11H16ClFN2O3 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-chlorohexoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
Also Known As: Chom-5-FU, 3-(6-chlorohexoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione, 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil, 2,4(1H,3H)-Pyrimidinedione, 3-(((6-chlorohexyl)oxy)methyl)-5-fluoro-, 1-(6-chlorohexoxymethyl)-5-fluoropyrimidine-2,4-dione
| Molecular Formula | C11H16ClFN2O3 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.08334 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 139593-09-2 |
|---|---|
| SMILES | C1=C(C(=O)N(C(=O)N1)COCCCCCCCl)F |
| InChIKey | OBWFLQWRFJTNRN-UHFFFAOYSA-N |
Product Overview
1-((6-Chlorohexyloxy)methyl)-5-fluorouracil (CAS 139593-09-2), with molecular formula C11H16ClFN2O3 and molecular weight 278.08 g/mol. IUPAC: 3-(6-chlorohexoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil
Property Insights of 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil. With a topological polar surface area (TPSA) of 58.6 Ų, 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((6-Chlorohexyloxy)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
Frequently Asked Questions
What is the CAS number of 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil?
The CAS number of 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil is 139593-09-2.
What is the molecular formula of 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil?
The molecular formula of 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil is C11H16ClFN2O3.
What is the molecular weight of 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil?
The molecular weight of 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil is 278.08 g/mol.
Where can I buy 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil?
You can request a quote for 1-((6-Chlorohexyloxy)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-((6-Chlorohexyloxy)methyl)-5-fluorouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-((6-Chlorohexyloxy)methyl)-5-fluorouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.