5'-Malonylriboflavin
TL;DR: 5'-Malonylriboflavin (CAS 88623-79-4) is a chemical compound with molecular formula C20H22N4O9 and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid
Also Known As: 5'-Malonylriboflavin, F1-X Chromophore, Riboflavin, 5'-(hydrogen propanedioate), 3-[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid, 1-O-(Carboxyacetyl)-5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol
| Molecular Formula | C20H22N4O9 |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.13867 |
| Heavy Atoms | 33 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 88623-79-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COC(=O)CC(=O)O)O)O)O |
| InChIKey | XNRSUGNJLHVYCT-IIYDPXPESA-N |
Product Overview
5'-Malonylriboflavin (CAS 88623-79-4), with molecular formula C20H22N4O9 and molecular weight 462.14 g/mol. IUPAC: 3-[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid.
Chemical Property Profile of 5'-Malonylriboflavin
Property Insights of 5'-Malonylriboflavin
The XLogP value of -1.2 indicates that 5'-Malonylriboflavin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.0 Ų indicates high polarity, suggesting 5'-Malonylriboflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Malonylriboflavin 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 5'-Malonylriboflavin?
The CAS number of 5'-Malonylriboflavin is 88623-79-4.
What is the molecular formula of 5'-Malonylriboflavin?
The molecular formula of 5'-Malonylriboflavin is C20H22N4O9.
What is the molecular weight of 5'-Malonylriboflavin?
The molecular weight of 5'-Malonylriboflavin is 462.14 g/mol.
Where can I buy 5'-Malonylriboflavin?
You can request a quote for 5'-Malonylriboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Malonylriboflavin?
Yes, KEHONG BIO provides custom synthesis services for 5'-Malonylriboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.