Apogossypol hexaacetate
TL;DR: Apogossypol hexaacetate (CAS 105201-55-6) is a chemical compound with molecular formula C40H42O12 and molecular weight 714.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,8-diacetyloxy-6-methyl-4-propan-2-yl-7-(1,6,7-triacetyloxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalen-2-yl] acetate
Also Known As: APOGOSSYPOL HEXAACETATE, (+)-Apogossypol Hexaacetate, (-)-Apogossypol Hexaacetate, Racemic Apogossypol Hexaacetate, 5,5'-Diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexayl hexaacetate
| Molecular Formula | C40H42O12 |
|---|---|
| Molecular Weight | 714.27 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 714.26764 |
| Heavy Atoms | 52 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 105201-55-6 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(C)C |
| InChIKey | MBTWPLWRPAVISC-UHFFFAOYSA-N |
Product Overview
Apogossypol hexaacetate (CAS 105201-55-6), with molecular formula C40H42O12 and molecular weight 714.27 g/mol. IUPAC: [3,8-diacetyloxy-6-methyl-4-propan-2-yl-7-(1,6,7-triacetyloxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalen-2-yl] acetate.
Chemical Property Profile of Apogossypol hexaacetate
Property Insights of Apogossypol hexaacetate
The XLogP value of 7.5 indicates that Apogossypol hexaacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Apogossypol hexaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Apogossypol hexaacetate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Apogossypol hexaacetate?
The CAS number of Apogossypol hexaacetate is 105201-55-6.
What is the molecular formula of Apogossypol hexaacetate?
The molecular formula of Apogossypol hexaacetate is C40H42O12.
What is the molecular weight of Apogossypol hexaacetate?
The molecular weight of Apogossypol hexaacetate is 714.27 g/mol.
Where can I buy Apogossypol hexaacetate?
You can request a quote for Apogossypol hexaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apogossypol hexaacetate?
Yes, KEHONG BIO provides custom synthesis services for Apogossypol hexaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.