![5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione structure](/static/products/5972/59727-25-2.webp)
5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione (CAS 59727-25-2) is a chemical compound with molecular formula C9H7F7N2O3 and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1H-pyrimidine-2,4-dione
Also Known As: C(OCC(F)(F)C(F)(F)C(F)(F)F)c1cnc(O)nc1O, 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione, 5-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1H-pyrimidine-2,4-dione, 2,3H)-Pyrimidinedione, 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-, 5-[(2,2,3,3,4,4,4-Heptafluorobutoxy)methyl]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C9H7F7N2O3 |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.0345 |
| Heavy Atoms | 21 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 59727-25-2 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)COCC(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | IXEUDEKRZXOLQA-UHFFFAOYSA-N |
Product Overview
5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione (CAS 59727-25-2), with molecular formula C9H7F7N2O3 and molecular weight 324.03 g/mol. IUPAC: 5-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione has 2 hydrogen bond donor(s) and 10 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-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione is 59727-25-2.
What is the molecular formula of 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione is C9H7F7N2O3.
What is the molecular weight of 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione is 324.03 g/mol.
Where can I buy 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-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 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.