6-(Trifluoromethyl)-7-oxo-8-ribityllumazine
TL;DR: 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine (CAS 16950-82-6) is a chemical compound with molecular formula C12H13F3N4O7 and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-6-(trifluoromethyl)-1H-pteridine-2,4,7-trione
Also Known As: 6-F3Me-7-Orl, 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine, 6-Trifluoromethyl-7-oxo-8-(D-ribityl)lumazine, 6-Trifluoromethyl-7-oxo-8-D-ribityllumazine, 8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-6-(trifluoromethyl)-1H-pteridine-2,4,7-trione
| Molecular Formula | C12H13F3N4O7 |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.07364 |
| Heavy Atoms | 26 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 16950-82-6 |
|---|---|
| SMILES | C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)N=C(C1=O)C(F)(F)F |
| InChIKey | FYUJHEOHMJKNGM-RPDRRWSUSA-N |
Product Overview
6-(Trifluoromethyl)-7-oxo-8-ribityllumazine (CAS 16950-82-6), with molecular formula C12H13F3N4O7 and molecular weight 382.07 g/mol. IUPAC: 8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-6-(trifluoromethyl)-1H-pteridine-2,4,7-trione.
Chemical Property Profile of 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine
Property Insights of 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine
The XLogP value of -3.0 indicates that 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine?
The CAS number of 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine is 16950-82-6.
What is the molecular formula of 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine?
The molecular formula of 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine is C12H13F3N4O7.
What is the molecular weight of 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine?
The molecular weight of 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine is 382.07 g/mol.
Where can I buy 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine?
You can request a quote for 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Trifluoromethyl)-7-oxo-8-ribityllumazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.