1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione
TL;DR: 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione (CAS 71861-76-2) is a chemical compound with molecular formula C14H11FN2O4 and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-5-fluoro-3-(2-methylbenzoyl)pyrimidine-2,4-dione
Also Known As: Atofluding, 1-Acetyl-3,2-toluyl-5-fluorouracil, 1-acetyl-3-O-toluyl-5-fluorouracil, A-OT, A-?OT-?Fu
| Molecular Formula | C14H11FN2O4 |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.07028 |
| Heavy Atoms | 21 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 71861-76-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N2C(=O)C(=CN(C2=O)C(=O)C)F |
| InChIKey | DRXHAKVGNKHFMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione (CAS 71861-76-2), with molecular formula C14H11FN2O4 and molecular weight 290.07 g/mol. IUPAC: 1-acetyl-5-fluoro-3-(2-methylbenzoyl)pyrimidine-2,4-dione.
Chemical Property Profile of 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione
Property Insights of 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione has 0 hydrogen bond donor(s) and 5 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-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione?
The CAS number of 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione is 71861-76-2.
What is the molecular formula of 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione is C14H11FN2O4.
What is the molecular weight of 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione is 290.07 g/mol.
Where can I buy 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.