Riboflavin-5'-monobutyrate
TL;DR: Riboflavin-5'-monobutyrate (CAS 23598-56-3) 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.
[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] butanoate
Also Known As: Riboflavin-5'-monobutyrate, Riboflavin, 5'-butanoate, RIBOFLAVIN,5'-BUTANOATE (9CI), [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] butanoate, 1-o-butanoyl-5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-d-ribitol
| Molecular Formula | C21H26N4O7 |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.18015 |
| Heavy Atoms | 32 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 23598-56-3 |
|---|---|
| SMILES | CCCC(=O)OC[C@@H]([C@@H]([C@@H](CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)O)O)O |
| InChIKey | DNNYFPLSGADQHQ-RVKKMQEKSA-N |
Product Overview
Riboflavin-5'-monobutyrate (CAS 23598-56-3), with molecular formula C21H26N4O7 and molecular weight 446.18 g/mol. IUPAC: [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] butanoate.
Chemical Property Profile of Riboflavin-5'-monobutyrate
Property Insights of Riboflavin-5'-monobutyrate
The XLogP value of -0.1 indicates that Riboflavin-5'-monobutyrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Riboflavin-5'-monobutyrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Riboflavin-5'-monobutyrate has 4 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 Riboflavin-5'-monobutyrate?
The CAS number of Riboflavin-5'-monobutyrate is 23598-56-3.
What is the molecular formula of Riboflavin-5'-monobutyrate?
The molecular formula of Riboflavin-5'-monobutyrate is C21H26N4O7.
What is the molecular weight of Riboflavin-5'-monobutyrate?
The molecular weight of Riboflavin-5'-monobutyrate is 446.18 g/mol.
Where can I buy Riboflavin-5'-monobutyrate?
You can request a quote for Riboflavin-5'-monobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Riboflavin-5'-monobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Riboflavin-5'-monobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.