7-Chloro-7-demethylriboflavin
TL;DR: 7-Chloro-7-demethylriboflavin (CAS 7146-48-7) is a chemical compound with molecular formula C16H17ClN4O6 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-8-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Also Known As: 7-Chlororiboflavin, 7-Chloro-7-demethylriboflavin, Riboflavin, 7-chloro-7-demethyl-, KST-1B8280, 7-Chloro-8-methyl-10-(1'-D-ribityl)isoalloxazine
| Molecular Formula | C16H17ClN4O6 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.08365 |
| Heavy Atoms | 27 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 7146-48-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO)O)O)O |
| InChIKey | MQQMUVNIJRTNJX-LOWVWBTDSA-N |
Product Overview
7-Chloro-7-demethylriboflavin (CAS 7146-48-7), with molecular formula C16H17ClN4O6 and molecular weight 396.08 g/mol. IUPAC: 7-chloro-8-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione.
Chemical Property Profile of 7-Chloro-7-demethylriboflavin
Property Insights of 7-Chloro-7-demethylriboflavin
The XLogP value of -1.2 indicates that 7-Chloro-7-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 7-Chloro-7-demethylriboflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Chloro-7-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 7-Chloro-7-demethylriboflavin?
The CAS number of 7-Chloro-7-demethylriboflavin is 7146-48-7.
What is the molecular formula of 7-Chloro-7-demethylriboflavin?
The molecular formula of 7-Chloro-7-demethylriboflavin is C16H17ClN4O6.
What is the molecular weight of 7-Chloro-7-demethylriboflavin?
The molecular weight of 7-Chloro-7-demethylriboflavin is 396.08 g/mol.
Where can I buy 7-Chloro-7-demethylriboflavin?
You can request a quote for 7-Chloro-7-demethylriboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-7-demethylriboflavin?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-7-demethylriboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.