1-Allyl-5-fluorouracil
TL;DR: 1-Allyl-5-fluorouracil (CAS 4871-14-1) is a chemical compound with molecular formula C7H7FN2O2 and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: 1-Allyl-5-fluorouracil, 5-fluoro-1-prop-2-enylpyrimidine-2,4-dione, 1-Allyl-5-fluoropyrimidine-2,4(1H,3H)-dione, J2.136.009K, 5-fluoro-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C7H7FN2O2 |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04915 |
| Heavy Atoms | 12 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 4871-14-1 |
|---|---|
| SMILES | C=CCN1C=C(C(=O)NC1=O)F |
| InChIKey | NUSNKFZUAGYVMV-UHFFFAOYSA-N |
Product Overview
1-Allyl-5-fluorouracil (CAS 4871-14-1), with molecular formula C7H7FN2O2 and molecular weight 170.05 g/mol. IUPAC: 5-fluoro-1-prop-2-enylpyrimidine-2,4-dione.
Chemical Property Profile of 1-Allyl-5-fluorouracil
Property Insights of 1-Allyl-5-fluorouracil
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-5-fluorouracil. With a topological polar surface area (TPSA) of 49.4 Ų, 1-Allyl-5-fluorouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-5-fluorouracil has 1 hydrogen bond donor(s) and 3 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-Allyl-5-fluorouracil?
The CAS number of 1-Allyl-5-fluorouracil is 4871-14-1.
What is the molecular formula of 1-Allyl-5-fluorouracil?
The molecular formula of 1-Allyl-5-fluorouracil is C7H7FN2O2.
What is the molecular weight of 1-Allyl-5-fluorouracil?
The molecular weight of 1-Allyl-5-fluorouracil is 170.05 g/mol.
Where can I buy 1-Allyl-5-fluorouracil?
You can request a quote for 1-Allyl-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-Allyl-5-fluorouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-5-fluorouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.