5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione
TL;DR: 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione (CAS 53489-94-4) is a chemical compound with molecular formula C7H7F3N2O2 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione
Also Known As: C(CC(F)(F)F)c1cnc(O)nc1O, BAS 00380057, 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione, 2,3H)-Pyrimidiniedione, 5-(3,3,3-trifluoropropyl)-, 5-(3,3,3-Trifluoro-propyl)-1H-pyrimidine-2,4-dione
| Molecular Formula | C7H7F3N2O2 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04596 |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 53489-94-4 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)CCC(F)(F)F |
| InChIKey | HNZJWKYQTOZLMP-UHFFFAOYSA-N |
Product Overview
5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione (CAS 53489-94-4), with molecular formula C7H7F3N2O2 and molecular weight 208.05 g/mol. IUPAC: 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione
Property Insights of 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione has 2 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 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione?
The CAS number of 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione is 53489-94-4.
What is the molecular formula of 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione?
The molecular formula of 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione is C7H7F3N2O2.
What is the molecular weight of 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione?
The molecular weight of 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione is 208.05 g/mol.
Where can I buy 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione?
You can request a quote for 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.