7-Hydroxymethylriboflavin
TL;DR: 7-Hydroxymethylriboflavin (CAS 86073-06-5) is a chemical compound with molecular formula C24H37NO8 and molecular weight 467.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentylphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 7-Hydroxymethylriboflavin, (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentylphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, 2-(2-cyclopentylphenoxy)-1-(((1,1-dimethylethyl)amino)methyl)ethyl, (S)-
| Molecular Formula | C24H37NO8 |
|---|---|
| Molecular Weight | 467.25 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.25192 |
| Heavy Atoms | 33 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 86073-06-5 |
|---|---|
| SMILES | CCO[C@]1([C@@]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)(O)OC2=CC=CC=C2C3CCCC3)CNC(C)(C)C |
| InChIKey | IYSRYJFTMOKNJH-XJRISUEFSA-N |
Product Overview
7-Hydroxymethylriboflavin (CAS 86073-06-5), with molecular formula C24H37NO8 and molecular weight 467.25 g/mol. IUPAC: (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentylphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 7-Hydroxymethylriboflavin
Property Insights of 7-Hydroxymethylriboflavin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxymethylriboflavin. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxymethylriboflavin. Following Lipinski's Rule of Five, 7-Hydroxymethylriboflavin has 5 hydrogen bond donor(s) and 9 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-Hydroxymethylriboflavin?
The CAS number of 7-Hydroxymethylriboflavin is 86073-06-5.
What is the molecular formula of 7-Hydroxymethylriboflavin?
The molecular formula of 7-Hydroxymethylriboflavin is C24H37NO8.
What is the molecular weight of 7-Hydroxymethylriboflavin?
The molecular weight of 7-Hydroxymethylriboflavin is 467.25 g/mol.
Where can I buy 7-Hydroxymethylriboflavin?
You can request a quote for 7-Hydroxymethylriboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxymethylriboflavin?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxymethylriboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.