![5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol structure](/static/products/6974/6974-00-1.webp)
5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol
TL;DR: 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol (CAS 6974-00-1) is a chemical compound with molecular formula C46H48N2O6 and molecular weight 724.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(2-phenylethyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(2-phenylethyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
Also Known As: 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol, (1E)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-8-[(phenethylamino)methylidene]-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-1-[(phenethylamino)methylidene]-4-propan-2-ylnaphthalen-2-one, (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-8-[(phenethylamino)methylidene]-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-1-[(phenethylamino)methylidene]-4-propan-2-ylnaphthalen-2-one, [2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[(E)-[(2-phenylethyl)imino]methyl]-, 7-[1,6-dihydroxy-3-methyl-7-oxo-8-[(phenethylamino)methylidene]-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-1-[(phenethylamino)methylidene]-4-propan-2-ylnaphthalen-2-one
| Molecular Formula | C46H48N2O6 |
|---|---|
| Molecular Weight | 724.35 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 724.35126 |
| Heavy Atoms | 54 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 6974-00-1 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCCC3=CC=CC=C3)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NCCC6=CC=CC=C6)O)O)C(C)C)O)O |
| InChIKey | IOMXQZQZJSROPC-UHFFFAOYSA-N |
Product Overview
5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol (CAS 6974-00-1), with molecular formula C46H48N2O6 and molecular weight 724.35 g/mol. IUPAC: 3-methyl-8-(2-phenylethyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(2-phenylethyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol.
Chemical Property Profile of 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol
Property Insights of 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol
The XLogP value of 10.0 indicates that 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol?
The CAS number of 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol is 6974-00-1.
What is the molecular formula of 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol?
The molecular formula of 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol is C46H48N2O6.
What is the molecular weight of 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol?
The molecular weight of 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol is 724.35 g/mol.
Where can I buy 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol?
You can request a quote for 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol?
Yes, KEHONG BIO provides custom synthesis services for 5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenethyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.