Riboflavin, 5'-butanoate
TL;DR: Riboflavin, 5'-butanoate (CAS 20704-80-7) is a chemical compound with molecular formula C21H26N4O7 and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] butanoate
Also Known As: Riboflavin, 5'-butanoate, RIBOFLAVIN,5'-BUTANOATE (9CI)
| Molecular Formula | C21H26N4O7 |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | -0.37256 |
| Topological Polar Surface Area | 167.63 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.18015 |
| Heavy Atoms | 32 |
| Complexity | 1219.1694 |
Chemical Identifiers
| CAS Number | 20704-80-7 |
|---|---|
| SMILES | CCCC(=O)OCC(C(C(CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)O)O)O |
Product Overview
Riboflavin, 5'-butanoate (CAS 20704-80-7), with molecular formula C21H26N4O7 and molecular weight 446.18 g/mol. IUPAC: [5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] butanoate.
Chemical Property Profile of Riboflavin, 5'-butanoate
Property Insights of Riboflavin, 5'-butanoate
The XLogP value of -0.37256 indicates that Riboflavin, 5'-butanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.63 Ų indicates high polarity, suggesting Riboflavin, 5'-butanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Riboflavin, 5'-butanoate has 4 hydrogen bond donor(s) and 9 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 Riboflavin, 5'-butanoate?
The CAS number of Riboflavin, 5'-butanoate is 20704-80-7.
What is the molecular formula of Riboflavin, 5'-butanoate?
The molecular formula of Riboflavin, 5'-butanoate is C21H26N4O7.
What is the molecular weight of Riboflavin, 5'-butanoate?
The molecular weight of Riboflavin, 5'-butanoate is 446.18 g/mol.
Where can I buy Riboflavin, 5'-butanoate?
You can request a quote for Riboflavin, 5'-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Riboflavin, 5'-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Riboflavin, 5'-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.