N(3)-Histidylriboflavin
TL;DR: N(3)-Histidylriboflavin (CAS 4508-93-4) is a chemical compound with molecular formula C23H27N7O8 and molecular weight 529.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[1-[[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-8-yl]methyl]imidazol-4-yl]propanoic acid
Also Known As: N(3)-Histidylriboflavin, 8alpha-(N(3)-Histidyl)riboflavin, 8 alpha-(N(3)-histidyl)riboflavin, 2-amino-3-[1-[[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-8-yl]methyl]imidazol-4-yl]propanoic acid, 2-amino-3-(1-{[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)-2,3,4,10-tetrahydrobenzo[g]pteridin-8-yl]methyl}-1h-imidazol-4-yl)propanoic acid(non-preferred name)
| Molecular Formula | C23H27N7O8 |
|---|---|
| Molecular Weight | 529.19 g/mol |
| LogP | -5.4 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 529.19214 |
| Heavy Atoms | 38 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 4508-93-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1CN3C=C(N=C3)CC(C(=O)O)N)N(C4=NC(=O)NC(=O)C4=N2)CC(C(C(CO)O)O)O |
| InChIKey | YSPJESWTPGIKKF-UHFFFAOYSA-N |
Product Overview
N(3)-Histidylriboflavin (CAS 4508-93-4), with molecular formula C23H27N7O8 and molecular weight 529.19 g/mol. IUPAC: 2-amino-3-[1-[[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-8-yl]methyl]imidazol-4-yl]propanoic acid.
Chemical Property Profile of N(3)-Histidylriboflavin
Property Insights of N(3)-Histidylriboflavin
The XLogP value of -5.4 indicates that N(3)-Histidylriboflavin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting N(3)-Histidylriboflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(3)-Histidylriboflavin has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(3)-Histidylriboflavin?
The CAS number of N(3)-Histidylriboflavin is 4508-93-4.
What is the molecular formula of N(3)-Histidylriboflavin?
The molecular formula of N(3)-Histidylriboflavin is C23H27N7O8.
What is the molecular weight of N(3)-Histidylriboflavin?
The molecular weight of N(3)-Histidylriboflavin is 529.19 g/mol.
Where can I buy N(3)-Histidylriboflavin?
You can request a quote for N(3)-Histidylriboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(3)-Histidylriboflavin?
Yes, KEHONG BIO provides custom synthesis services for N(3)-Histidylriboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.