8-Thiocyanatoriboflavin
TL;DR: 8-Thiocyanatoriboflavin (CAS 130574-30-0) is a chemical compound with molecular formula C17H17N5O6S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-8-yl] thiocyanate
Also Known As: 8-Thiocyanatoriboflavin, Riboflavin, 8-demethyl-8-thiocyanato-, Riboflavin,8-demethyl-8-thiocyanato, [7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-8-yl] thiocyanate, 1-Deoxy-1-[4-hydroxy-7-methyl-2-oxo-8-(thiocyanato)benzo[g]pteridin-10(2H)-yl]pentitol
| Molecular Formula | C17H17N5O6S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | -1.4588 |
| Topological Polar Surface Area | 185.35 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.08997 |
| Heavy Atoms | 29 |
| Complexity | 1185.8282 |
Chemical Identifiers
| CAS Number | 130574-30-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1SC#N)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O |
Product Overview
8-Thiocyanatoriboflavin (CAS 130574-30-0), with molecular formula C17H17N5O6S and molecular weight 419.09 g/mol. IUPAC: [7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-8-yl] thiocyanate.
Chemical Property Profile of 8-Thiocyanatoriboflavin
Property Insights of 8-Thiocyanatoriboflavin
The XLogP value of -1.4588 indicates that 8-Thiocyanatoriboflavin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.35 Ų indicates high polarity, suggesting 8-Thiocyanatoriboflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Thiocyanatoriboflavin has 5 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 8-Thiocyanatoriboflavin?
The CAS number of 8-Thiocyanatoriboflavin is 130574-30-0.
What is the molecular formula of 8-Thiocyanatoriboflavin?
The molecular formula of 8-Thiocyanatoriboflavin is C17H17N5O6S.
What is the molecular weight of 8-Thiocyanatoriboflavin?
The molecular weight of 8-Thiocyanatoriboflavin is 419.09 g/mol.
Where can I buy 8-Thiocyanatoriboflavin?
You can request a quote for 8-Thiocyanatoriboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Thiocyanatoriboflavin?
Yes, KEHONG BIO provides custom synthesis services for 8-Thiocyanatoriboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.