Arylazidoatractyloside
TL;DR: Arylazidoatractyloside (CAS 65792-55-4) is a chemical compound with molecular formula C40H53K2N5O19S2 and molecular weight 1049.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;[2-[4-(4-azido-2-nitroanilino)butanoyloxymethyl]-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: Arylazidoatractyloside, N-4-Azido-2-nitrophenylaminobutyryl atractyloside, dipotassium;[2-[4-(4-azido-2-nitroanilino)butanoyloxymethyl]-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-((4-azido-2-nitrophenyl)amino)-1-oxobutyl)-2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-15-hydroxy-, dipotassium salt, (2beta,4alpha,15alpha)-
| Molecular Formula | C40H53K2N5O19S2 |
|---|---|
| Molecular Weight | 1049.21 g/mol |
| LogP | -1.717 |
| Topological Polar Surface Area | 365.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Exact Mass | 1049.2051 |
| Heavy Atoms | 68 |
| Complexity | 2341.5105 |
Chemical Identifiers
| CAS Number | 65792-55-4 |
|---|---|
| SMILES | CC(C)CC(=O)OC1C(C(C(OC1OC2CC(C3CCC45CC(CCC4C3(C2)C)C(=C)C5O)C(=O)O)COC(=O)CCCNC6=C(C=C(C=C6)N=[N+]=[N-])[N+](=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+] |
Product Overview
Arylazidoatractyloside (CAS 65792-55-4), with molecular formula C40H53K2N5O19S2 and molecular weight 1049.21 g/mol. IUPAC: dipotassium;[2-[4-(4-azido-2-nitroanilino)butanoyloxymethyl]-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 Arylazidoatractyloside
Property Insights of Arylazidoatractyloside
The XLogP value of -1.717 indicates that Arylazidoatractyloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 365.38 Ų indicates high polarity, suggesting Arylazidoatractyloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arylazidoatractyloside has 3 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Arylazidoatractyloside?
The CAS number of Arylazidoatractyloside is 65792-55-4.
What is the molecular formula of Arylazidoatractyloside?
The molecular formula of Arylazidoatractyloside is C40H53K2N5O19S2.
What is the molecular weight of Arylazidoatractyloside?
The molecular weight of Arylazidoatractyloside is 1049.21 g/mol.
Where can I buy Arylazidoatractyloside?
You can request a quote for Arylazidoatractyloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arylazidoatractyloside?
Yes, KEHONG BIO provides custom synthesis services for Arylazidoatractyloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.