6'-O-dansyl-gamma-aminobutyryl atractyloside
TL;DR: 6'-O-dansyl-gamma-aminobutyryl atractyloside (CAS 84872-88-8) is a chemical compound with molecular formula C46H62K2N2O19S3 and molecular weight 1120.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;[2-[(5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-6-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoyloxymethyl]-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
Also Known As: DGABA, Methyl ester of phenigama, 6'-O-Dansyl-gamma-aminobutyryl atractyloside, dipotassium;[2-[(5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-6-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoyloxymethyl]-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
| Molecular Formula | C46H62K2N2O19S3 |
|---|---|
| Molecular Weight | 1120.24 g/mol |
| LogP | -2.4814 |
| Topological Polar Surface Area | 336.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 19 |
| Exact Mass | 1120.2383 |
| Heavy Atoms | 72 |
| Complexity | 2240.0 |
Chemical Identifiers
| CAS Number | 84872-88-8 |
|---|---|
| SMILES | CC(C)CC(=O)OC1C(C(C(OC1OC2CC(C3CCC45CC(CCC4C3(C2)C)C(=C)C5O)C(=O)O)COC(=O)CCCNS(=O)(=O)C6=CC=CC7=C6C=CC=C7N(C)C)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+] |
| InChIKey | BDYCYZFMSYOJFY-UHFFFAOYSA-L |
Product Overview
6'-O-dansyl-gamma-aminobutyryl atractyloside (CAS 84872-88-8), with molecular formula C46H62K2N2O19S3 and molecular weight 1120.24 g/mol. IUPAC: dipotassium;[2-[(5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-6-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoyloxymethyl]-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate.
Chemical Property Profile of 6'-O-dansyl-gamma-aminobutyryl atractyloside
Property Insights of 6'-O-dansyl-gamma-aminobutyryl atractyloside
The XLogP value of -2.4814 indicates that 6'-O-dansyl-gamma-aminobutyryl atractyloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 336.0 Ų indicates high polarity, suggesting 6'-O-dansyl-gamma-aminobutyryl atractyloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6'-O-dansyl-gamma-aminobutyryl atractyloside has 3 hydrogen bond donor(s) and 21 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-dansyl-gamma-aminobutyryl atractyloside?
The CAS number of 6'-O-dansyl-gamma-aminobutyryl atractyloside is 84872-88-8.
What is the molecular formula of 6'-O-dansyl-gamma-aminobutyryl atractyloside?
The molecular formula of 6'-O-dansyl-gamma-aminobutyryl atractyloside is C46H62K2N2O19S3.
What is the molecular weight of 6'-O-dansyl-gamma-aminobutyryl atractyloside?
The molecular weight of 6'-O-dansyl-gamma-aminobutyryl atractyloside is 1120.24 g/mol.
Where can I buy 6'-O-dansyl-gamma-aminobutyryl atractyloside?
You can request a quote for 6'-O-dansyl-gamma-aminobutyryl atractyloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-O-dansyl-gamma-aminobutyryl atractyloside?
Yes, KEHONG BIO provides custom synthesis services for 6'-O-dansyl-gamma-aminobutyryl atractyloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.