1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one
TL;DR: 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one (CAS 10179-90-5) is a chemical compound with molecular formula C6H3F3N4O and molecular weight 204.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(trifluoromethyl)-3,7-dihydropurin-2-one
Also Known As: purin-2(1H)-one, 8-trifluoromethyl-, 8-(trifluoromethyl)-3,7-dihydropurin-2-one, 2H-Purin-2-one, 1,3-dihydro-8-(trifluoromethyl)-, 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one, 8-(Trifluoromethyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C6H3F3N4O |
|---|---|
| Molecular Weight | 204.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.0259 |
| Heavy Atoms | 14 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 10179-90-5 |
|---|---|
| SMILES | C1=NC(=O)NC2=C1NC(=N2)C(F)(F)F |
| InChIKey | NPVULJBGDZGUKK-UHFFFAOYSA-N |
Product Overview
1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one (CAS 10179-90-5), with molecular formula C6H3F3N4O and molecular weight 204.03 g/mol. IUPAC: 8-(trifluoromethyl)-3,7-dihydropurin-2-one.
Chemical Property Profile of 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one
Property Insights of 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one. Following Lipinski's Rule of Five, 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one 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 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one?
The CAS number of 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one is 10179-90-5.
What is the molecular formula of 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one?
The molecular formula of 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one is C6H3F3N4O.
What is the molecular weight of 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one?
The molecular weight of 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one is 204.03 g/mol.
Where can I buy 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one?
You can request a quote for 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-8-(trifluoromethyl)-2H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.