6-Hydroxymelatonin glucuronide
TL;DR: 6-Hydroxymelatonin glucuronide (CAS 94840-69-4) is a chemical compound with molecular formula C19H24N2O9 and molecular weight 424.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6R)-4-(2-acetamidoethyl)-3,4,5-trihydroxy-6-(1H-indol-6-yloxy)-2-methoxyoxane-2-carboxylic acid
Also Known As: 6-Hydroxymelatonin glucuronide, (2S,3S,4R,5R,6R)-4-(2-acetamidoethyl)-3,4,5-trihydroxy-6-(1H-indol-6-yloxy)-2-methoxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, 3-(2-(acetylamino)-5-methoxy-1H-indol-6-yl)-, (2S,3S,4R,5R,6R)-4-(2-Acetamidoethyl)-3,4,5-trihydroxy-6-[(1H-indol-6-yl)oxy]-2-methoxyoxane-2-carboxylic acid, RefChem:104819
| Molecular Formula | C19H24N2O9 |
|---|---|
| Molecular Weight | 424.15 g/mol |
| LogP | -0.6906 |
| Topological Polar Surface Area | 170.57 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.1482 |
| Heavy Atoms | 30 |
| Complexity | 931.6208 |
Chemical Identifiers
| CAS Number | 94840-69-4 |
|---|---|
| SMILES | CC(=O)NCC[C@]1([C@H]([C@@H](O[C@@]([C@H]1O)(C(=O)O)OC)OC2=CC3=C(C=C2)C=CN3)O)O |
Product Overview
6-Hydroxymelatonin glucuronide (CAS 94840-69-4), with molecular formula C19H24N2O9 and molecular weight 424.15 g/mol. IUPAC: (2S,3S,4R,5R,6R)-4-(2-acetamidoethyl)-3,4,5-trihydroxy-6-(1H-indol-6-yloxy)-2-methoxyoxane-2-carboxylic acid.
Chemical Property Profile of 6-Hydroxymelatonin glucuronide
Property Insights of 6-Hydroxymelatonin glucuronide
The XLogP value of -0.6906 indicates that 6-Hydroxymelatonin glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.57 Ų indicates high polarity, suggesting 6-Hydroxymelatonin glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Hydroxymelatonin glucuronide has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Hydroxymelatonin glucuronide?
The CAS number of 6-Hydroxymelatonin glucuronide is 94840-69-4.
What is the molecular formula of 6-Hydroxymelatonin glucuronide?
The molecular formula of 6-Hydroxymelatonin glucuronide is C19H24N2O9.
What is the molecular weight of 6-Hydroxymelatonin glucuronide?
The molecular weight of 6-Hydroxymelatonin glucuronide is 424.15 g/mol.
Where can I buy 6-Hydroxymelatonin glucuronide?
You can request a quote for 6-Hydroxymelatonin glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxymelatonin glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxymelatonin glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.