5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid
TL;DR: 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid (CAS 77463-72-0) is a chemical compound with molecular formula C15H17NO8 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-methoxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acid
Also Known As: 6-H-5-Mig, 6-Hydroxy-5-methoxyindole glucuronide, 6-hydroxy-5-methoxyindoleglucuronide, 5-Methoxyindol-6-yl D-glucosiduronic acid, 6-hydroxy-5-methoxyindole glucuronoside
| Molecular Formula | C15H17NO8 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.09543 |
| Heavy Atoms | 24 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 77463-72-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | NECCHCPFFUXUOB-DKBOKBLXSA-N |
Product Overview
5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid (CAS 77463-72-0), with molecular formula C15H17NO8 and molecular weight 339.10 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-methoxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acid.
Chemical Property Profile of 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid
Property Insights of 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid. The TPSA of 141.0 Ų indicates high polarity, suggesting 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid has 5 hydrogen bond donor(s) and 8 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 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid?
The CAS number of 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid is 77463-72-0.
What is the molecular formula of 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid?
The molecular formula of 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid is C15H17NO8.
What is the molecular weight of 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid?
The molecular weight of 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid is 339.10 g/mol.
Where can I buy 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid?
You can request a quote for 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-1H-indol-6-yl beta-D-glucopyranosiduronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.