6'-O-4-Azidobenzoylatractyloside
TL;DR: 6'-O-4-Azidobenzoylatractyloside (CAS 83579-68-4) is a chemical compound with molecular formula C37H47K2N3O17S2 and molecular weight 947.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;[2-[(4-azidobenzoyl)oxymethyl]-6-[(5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-5-(3-methylbutanoyloxy)-3-sulfonatooxyoxan-4-yl] sulfate
Also Known As: Pab-atr, 6'-O-4-Azidobenzoylatractyloside, 6'-O-para-Azidobenzoyl-atractyloside, dipotassium;[2-[(4-azidobenzoyl)oxymethyl]-6-[(5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-5-(3-methylbutanoyloxy)-3-sulfonatooxyoxan-4-yl] sulfate, 19-Norkaur-16-en-18-oic acid, 2-((6-O-(4-azidobenzoyl)-2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-15-hydroxy-, dipotassium salt, labeled with carbon-14, (2beta,4alpha,15alpha)-
| Molecular Formula | C37H47K2N3O17S2 |
|---|---|
| Molecular Weight | 947.16 g/mol |
| LogP | -2.2037 |
| Topological Polar Surface Area | 293.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 947.1621 |
| Heavy Atoms | 61 |
| Complexity | 1860.0 |
Chemical Identifiers
| CAS Number | 83579-68-4 |
|---|---|
| SMILES | CC(C)CC(=O)OC1C(C(C(OC1OC2CC(C3CCC45CC(CCC4C3(C2)C)C(=C)C5O)C(=O)O)COC(=O)C6=CC=C(C=C6)N=[N+]=[N-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+] |
| InChIKey | URFQPLVDKMKARK-UHFFFAOYSA-L |
Product Overview
6'-O-4-Azidobenzoylatractyloside (CAS 83579-68-4), with molecular formula C37H47K2N3O17S2 and molecular weight 947.16 g/mol. IUPAC: dipotassium;[2-[(4-azidobenzoyl)oxymethyl]-6-[(5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-5-(3-methylbutanoyloxy)-3-sulfonatooxyoxan-4-yl] sulfate.
Chemical Property Profile of 6'-O-4-Azidobenzoylatractyloside
Property Insights of 6'-O-4-Azidobenzoylatractyloside
The XLogP value of -2.2037 indicates that 6'-O-4-Azidobenzoylatractyloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 293.0 Ų indicates high polarity, suggesting 6'-O-4-Azidobenzoylatractyloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6'-O-4-Azidobenzoylatractyloside has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6'-O-4-Azidobenzoylatractyloside?
The CAS number of 6'-O-4-Azidobenzoylatractyloside is 83579-68-4.
What is the molecular formula of 6'-O-4-Azidobenzoylatractyloside?
The molecular formula of 6'-O-4-Azidobenzoylatractyloside is C37H47K2N3O17S2.
What is the molecular weight of 6'-O-4-Azidobenzoylatractyloside?
The molecular weight of 6'-O-4-Azidobenzoylatractyloside is 947.16 g/mol.
Where can I buy 6'-O-4-Azidobenzoylatractyloside?
You can request a quote for 6'-O-4-Azidobenzoylatractyloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-O-4-Azidobenzoylatractyloside?
Yes, KEHONG BIO provides custom synthesis services for 6'-O-4-Azidobenzoylatractyloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.