1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione
TL;DR: 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione (CAS 4871-13-0) is a chemical compound with molecular formula C11H9FN2O2 and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-fluoropyrimidine-2,4-dione
Also Known As: 1-Benzyl-5-fluorouracil, N-benzyl-5-fluorouracil, 5-fluoro-1-benzyluracil, N1-benzyl-5-fluorouracil, 1-benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione
| Molecular Formula | C11H9FN2O2 |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0648 |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 4871-13-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)F |
| InChIKey | DOLBESUBPIZBQY-UHFFFAOYSA-N |
Product Overview
1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione (CAS 4871-13-0), with molecular formula C11H9FN2O2 and molecular weight 220.06 g/mol. IUPAC: 1-benzyl-5-fluoropyrimidine-2,4-dione.
Chemical Property Profile of 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione
Property Insights of 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione 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-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione?
The CAS number of 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione is 4871-13-0.
What is the molecular formula of 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione?
The molecular formula of 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione is C11H9FN2O2.
What is the molecular weight of 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione?
The molecular weight of 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione is 220.06 g/mol.
Where can I buy 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione?
You can request a quote for 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.