Racemic Apogossypol Hexaacetate
TL;DR: Racemic Apogossypol Hexaacetate (CAS 6314-30-3) is a chemical compound with molecular formula C46H64N2O6 and molecular weight 740.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-ethylhexyliminomethyl)-2-[8-(2-ethylhexyliminomethyl)-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol
Also Known As: Racemic Apogossypol Hexaacetate, 8-((E)-((2-Ethylhexyl)imino)methyl)-8'-((Z)-((2-ethylhexyl)imino)methyl)-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol, (1Z)-1-[(2-ethylhexylamino)methylidene]-7-[(8Z)-8-[(2-ethylhexylamino)methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one, 8-{(E)-[(2-Ethylhexyl)imino]methyl}-8'-{(Z)-[(2-ethylhexyl)imino]methyl}-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol, 1-[(2-ethylhexylamino)methylidene]-7-[8-[(2-ethylhexylamino)methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one
| Molecular Formula | C46H64N2O6 |
|---|---|
| Molecular Weight | 740.48 g/mol |
| LogP | 12.3 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 740.47644 |
| Heavy Atoms | 54 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 6314-30-3 |
|---|---|
| SMILES | CCCCC(CC)CN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCC(CC)CCCC)O)O)C(C)C)O)O)C(C)C)O)O |
| InChIKey | WANGLMNNIUTKAH-UHFFFAOYSA-N |
Product Overview
Racemic Apogossypol Hexaacetate (CAS 6314-30-3), with molecular formula C46H64N2O6 and molecular weight 740.48 g/mol. IUPAC: 8-(2-ethylhexyliminomethyl)-2-[8-(2-ethylhexyliminomethyl)-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol.
Chemical Property Profile of Racemic Apogossypol Hexaacetate
Property Insights of Racemic Apogossypol Hexaacetate
The XLogP value of 12.3 indicates that Racemic Apogossypol Hexaacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting Racemic Apogossypol Hexaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Racemic Apogossypol Hexaacetate 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 Racemic Apogossypol Hexaacetate?
The CAS number of Racemic Apogossypol Hexaacetate is 6314-30-3.
What is the molecular formula of Racemic Apogossypol Hexaacetate?
The molecular formula of Racemic Apogossypol Hexaacetate is C46H64N2O6.
What is the molecular weight of Racemic Apogossypol Hexaacetate?
The molecular weight of Racemic Apogossypol Hexaacetate is 740.48 g/mol.
Where can I buy Racemic Apogossypol Hexaacetate?
You can request a quote for Racemic Apogossypol Hexaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Racemic Apogossypol Hexaacetate?
Yes, KEHONG BIO provides custom synthesis services for Racemic Apogossypol Hexaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.