S-Cysteinylriboflavin
TL;DR: S-Cysteinylriboflavin (CAS 5472-31-1) is a chemical compound with molecular formula C20H25N5O8S and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[[7-methyl-2,4-dioxo-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-8-yl]methylsulfanyl]propanoic acid
Also Known As: S-Cysteinylriboflavin, Riboflavin, alpha8-((2-amino-2-carboxyethyl)thio)-, (R)-, 2-amino-3-[[7-methyl-2,4-dioxo-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-8-yl]methylsulfanyl]propanoic acid, 2-amino-3-[({7-methyl-2,4-dioxo-10-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentyl]-2,3,4,10-tetrahydrobenzo[g]pteridin-8-yl}methyl)sulfanyl]propanoic acid(non-preferred name), 2-AMINO-3-(4-HYDROXY-1,2,5-OXADIAZOL-3-YL)PROPIONIC ACID (STRUCTURAL MIX)
| Molecular Formula | C20H25N5O8S |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 495.1424 |
| Heavy Atoms | 34 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 5472-31-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1CSCC(C(=O)O)N)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](CO)O)O)O |
| InChIKey | HVFIAICIIKQZDS-ZUWHDZRZSA-N |
Product Overview
S-Cysteinylriboflavin (CAS 5472-31-1), with molecular formula C20H25N5O8S and molecular weight 495.14 g/mol. IUPAC: 2-amino-3-[[7-methyl-2,4-dioxo-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-8-yl]methylsulfanyl]propanoic acid.
Chemical Property Profile of S-Cysteinylriboflavin
Property Insights of S-Cysteinylriboflavin
The XLogP value of -5.0 indicates that S-Cysteinylriboflavin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.0 Ų indicates high polarity, suggesting S-Cysteinylriboflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-Cysteinylriboflavin 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 S-Cysteinylriboflavin?
The CAS number of S-Cysteinylriboflavin is 5472-31-1.
What is the molecular formula of S-Cysteinylriboflavin?
The molecular formula of S-Cysteinylriboflavin is C20H25N5O8S.
What is the molecular weight of S-Cysteinylriboflavin?
The molecular weight of S-Cysteinylriboflavin is 495.14 g/mol.
Where can I buy S-Cysteinylriboflavin?
You can request a quote for S-Cysteinylriboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Cysteinylriboflavin?
Yes, KEHONG BIO provides custom synthesis services for S-Cysteinylriboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.