![3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate structure](/static/products/7242/7242-87-7.webp)
3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate
TL;DR: 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate (CAS 7242-87-7) is a chemical compound with molecular formula C20H28N2O8 and molecular weight 424.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate
Also Known As: 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate
| Molecular Formula | C20H28N2O8 |
|---|---|
| Molecular Weight | 424.18 g/mol |
| LogP | -2.5231 |
| Topological Polar Surface Area | 183.86 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.18457 |
| Heavy Atoms | 30 |
| Complexity | 797.01117 |
Chemical Identifiers
| CAS Number | 7242-87-7 |
|---|---|
| SMILES | CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C(CC(=O)[O-])[NH3+])O)O |
Product Overview
3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate (CAS 7242-87-7), with molecular formula C20H28N2O8 and molecular weight 424.18 g/mol. IUPAC: 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate.
Chemical Property Profile of 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate
Property Insights of 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate
The XLogP value of -2.5231 indicates that 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.86 Ų indicates high polarity, suggesting 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate 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 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate?
The CAS number of 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate is 7242-87-7.
What is the molecular formula of 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate?
The molecular formula of 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate is C20H28N2O8.
What is the molecular weight of 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate?
The molecular weight of 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate is 424.18 g/mol.
Where can I buy 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate?
You can request a quote for 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-azaniumyl-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.