5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione
TL;DR: 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione (CAS 312536-72-4) is a chemical compound with molecular formula C8H11FN2O2 and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-(2-methylpropyl)pyrimidine-2,4-dione
Also Known As: 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione, 5-fluoro-1-(2-methylpropyl)pyrimidine-2,4-dione, 5-fluoro-1-isobutyl-2,4(1H,3H)-pyrimidinedione, 5-Fluoro-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione, 5-fluoro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C8H11FN2O2 |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.08046 |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 312536-72-4 |
|---|---|
| SMILES | CC(C)CN1C=C(C(=O)NC1=O)F |
| InChIKey | QRYXHGRKIGGRBI-UHFFFAOYSA-N |
Product Overview
5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione (CAS 312536-72-4), with molecular formula C8H11FN2O2 and molecular weight 186.08 g/mol. IUPAC: 5-fluoro-1-(2-methylpropyl)pyrimidine-2,4-dione.
Chemical Property Profile of 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione
Property Insights of 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-fluoro-1-isobutylpyrimidine-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 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione is 312536-72-4.
What is the molecular formula of 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione is C8H11FN2O2.
What is the molecular weight of 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione is 186.08 g/mol.
Where can I buy 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-fluoro-1-isobutylpyrimidine-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 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-fluoro-1-isobutylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.