Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester
TL;DR: Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester (CAS 66542-37-8) is a chemical compound with molecular formula C9H11FN2O4 and molecular weight 230.07028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl butanoate
Also Known As: Maytansinol butyrate, 1-butyryloxymethyl-5-fluorouracil, (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl butanoate, Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester, 1-butyryloxymethyl-5-fluoro-1H-pyrimidine-2,4-dione
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11FN2O4 |
| Molecular Weight | 230.07028 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.07028 Da |
| Heavy Atoms | 16 |
| Complexity | 353.0 |
| SMILES | CCCC(=O)OCN1C=C(C(=O)NC1=O)F |
| InChIKey | HNKFVQSWWYMANO-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester
Property Insights of Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester. Following Lipinski's Rule of Five, Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester?
The CAS number of Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester is 66542-37-8.
What is the molecular formula of Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester?
The molecular formula of Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester is C9H11FN2O4.
What is the molecular weight of Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester?
The molecular weight of Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester is 230.07028 g/mol.
Where can I buy Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester?
You can request a quote for Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.