8-Bromo-8-demethylriboflavin
TL;DR: 8-Bromo-8-demethylriboflavin (CAS 53347-31-2) is a chemical compound with molecular formula C16H17BrN4O6 and molecular weight 440.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Also Known As: 8-Bromoriboflavin, 8-Bromo-8-demethylriboflavin, KST-1B4951, 7-Methyl-8-bromo-10-(1'-D-ribityl)isoalloxazine, 1-(8-bromo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-1-deoxy-d-ribitol
| Molecular Formula | C16H17BrN4O6 |
|---|---|
| Molecular Weight | 440.03 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.03314 |
| Heavy Atoms | 27 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 53347-31-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Br)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O |
| InChIKey | RTKPTZLXBPBWTM-LOWVWBTDSA-N |
Product Overview
8-Bromo-8-demethylriboflavin (CAS 53347-31-2), with molecular formula C16H17BrN4O6 and molecular weight 440.03 g/mol. IUPAC: 8-bromo-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione.
Chemical Property Profile of 8-Bromo-8-demethylriboflavin
Property Insights of 8-Bromo-8-demethylriboflavin
The XLogP value of -1.1 indicates that 8-Bromo-8-demethylriboflavin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting 8-Bromo-8-demethylriboflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Bromo-8-demethylriboflavin has 5 hydrogen bond donor(s) and 7 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 8-Bromo-8-demethylriboflavin?
The CAS number of 8-Bromo-8-demethylriboflavin is 53347-31-2.
What is the molecular formula of 8-Bromo-8-demethylriboflavin?
The molecular formula of 8-Bromo-8-demethylriboflavin is C16H17BrN4O6.
What is the molecular weight of 8-Bromo-8-demethylriboflavin?
The molecular weight of 8-Bromo-8-demethylriboflavin is 440.03 g/mol.
Where can I buy 8-Bromo-8-demethylriboflavin?
You can request a quote for 8-Bromo-8-demethylriboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromo-8-demethylriboflavin?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-8-demethylriboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.