1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester
TL;DR: 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester (CAS 174582-14-0) is a chemical compound with molecular formula C12H17FN2O4 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
Also Known As: 5-Fluorouracil-1-acetylhexane, hexyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate, Hexyl 3,4-dihydro-2,4-dioxo-5-fluoro-1(2H)-pyrimidineacetate, 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester, HEXYL 2-(5-FLUORO-2,4-DIOXO-PYRIMIDIN-1-YL)ACETATE
| Molecular Formula | C12H17FN2O4 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 0.7992 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.11725 |
| Heavy Atoms | 19 |
| Complexity | 535.2663 |
Chemical Identifiers
| CAS Number | 174582-14-0 |
|---|---|
| SMILES | CCCCCCOC(=O)CN1C=C(C(=O)NC1=O)F |
Product Overview
1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester (CAS 174582-14-0), with molecular formula C12H17FN2O4 and molecular weight 272.12 g/mol. IUPAC: hexyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
Chemical Property Profile of 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester
Property Insights of 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester
The XLogP value of 0.7992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester. Following Lipinski's Rule of Five, 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester has 1 hydrogen bond donor(s) and 4 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(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester?
The CAS number of 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester is 174582-14-0.
What is the molecular formula of 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester?
The molecular formula of 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester is C12H17FN2O4.
What is the molecular weight of 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester?
The molecular weight of 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester is 272.12 g/mol.
Where can I buy 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester?
You can request a quote for 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.