8-Fluoro-8-demethylriboflavin
TL;DR: 8-Fluoro-8-demethylriboflavin (CAS 1691-79-8) is a chemical compound with molecular formula C16H17FN4O6 and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Also Known As: 8-Fluororiboflavin, 8-Fluoro-8-demethylriboflavin, 8-Fluoro-8-demethyl fmn, Riboflavin, 8-demethyl-8-fluoro-, 8-fluoro-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
| Molecular Formula | C16H17FN4O6 |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | -1.89288 |
| Topological Polar Surface Area | 161.56 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.11322 |
| Heavy Atoms | 27 |
| Complexity | 1080.9409 |
Chemical Identifiers
| CAS Number | 1691-79-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1F)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O |
Product Overview
8-Fluoro-8-demethylriboflavin (CAS 1691-79-8), with molecular formula C16H17FN4O6 and molecular weight 380.11 g/mol. IUPAC: 8-fluoro-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione.
Chemical Property Profile of 8-Fluoro-8-demethylriboflavin
Property Insights of 8-Fluoro-8-demethylriboflavin
The XLogP value of -1.89288 indicates that 8-Fluoro-8-demethylriboflavin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.56 Ų indicates high polarity, suggesting 8-Fluoro-8-demethylriboflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Fluoro-8-demethylriboflavin has 5 hydrogen bond donor(s) and 8 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 8-Fluoro-8-demethylriboflavin?
The CAS number of 8-Fluoro-8-demethylriboflavin is 1691-79-8.
What is the molecular formula of 8-Fluoro-8-demethylriboflavin?
The molecular formula of 8-Fluoro-8-demethylriboflavin is C16H17FN4O6.
What is the molecular weight of 8-Fluoro-8-demethylriboflavin?
The molecular weight of 8-Fluoro-8-demethylriboflavin is 380.11 g/mol.
Where can I buy 8-Fluoro-8-demethylriboflavin?
You can request a quote for 8-Fluoro-8-demethylriboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Fluoro-8-demethylriboflavin?
Yes, KEHONG BIO provides custom synthesis services for 8-Fluoro-8-demethylriboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.