N(1)-(2-formylethyl)-5-fluorouracil
TL;DR: N(1)-(2-formylethyl)-5-fluorouracil (CAS 56058-99-2) is a chemical compound with molecular formula C7H7FN2O3 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-3-propanoyl-1H-pyrimidine-2,4-dione
Also Known As: FE-FU, 1-Propanoyl-5-fluorouracil, 3-Propionyl-5-fluorouracil, N(1)-(2-Formylethyl)-5-fluorouracil, 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-3-(1-oxopropyl)-
| Molecular Formula | C7H7FN2O3 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.04407 |
| Heavy Atoms | 13 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 56058-99-2 |
|---|---|
| SMILES | CCC(=O)N1C(=O)C(=CNC1=O)F |
| InChIKey | NALBVYNGIWXLJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N(1)-(2-formylethyl)-5-fluorouracil (CAS 56058-99-2), with molecular formula C7H7FN2O3 and molecular weight 186.04 g/mol. IUPAC: 5-fluoro-3-propanoyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of N(1)-(2-formylethyl)-5-fluorouracil
Property Insights of N(1)-(2-formylethyl)-5-fluorouracil
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(1)-(2-formylethyl)-5-fluorouracil. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N(1)-(2-formylethyl)-5-fluorouracil. Following Lipinski's Rule of Five, N(1)-(2-formylethyl)-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 N(1)-(2-formylethyl)-5-fluorouracil?
The CAS number of N(1)-(2-formylethyl)-5-fluorouracil is 56058-99-2.
What is the molecular formula of N(1)-(2-formylethyl)-5-fluorouracil?
The molecular formula of N(1)-(2-formylethyl)-5-fluorouracil is C7H7FN2O3.
What is the molecular weight of N(1)-(2-formylethyl)-5-fluorouracil?
The molecular weight of N(1)-(2-formylethyl)-5-fluorouracil is 186.04 g/mol.
Where can I buy N(1)-(2-formylethyl)-5-fluorouracil?
You can request a quote for N(1)-(2-formylethyl)-5-fluorouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(1)-(2-formylethyl)-5-fluorouracil?
Yes, KEHONG BIO provides custom synthesis services for N(1)-(2-formylethyl)-5-fluorouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.