Gossypol hexaacetate
TL;DR: Gossypol hexaacetate (CAS 30719-67-6) is a chemical compound with molecular formula C42H42O14 and molecular weight 770.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,8-diacetyloxy-1-formyl-6-methyl-4-propan-2-yl-7-(1,6,7-triacetyloxy-8-formyl-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalen-2-yl] acetate
Also Known As: Gossypol acetate, Gossypol acetic acid, Gossypol hexaacetate, (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-, hexaacetate, [2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexakis(acetyloxy)-3,3'-dimethyl-5,5'-bis(1-methylethyl)-
| Molecular Formula | C42H42O14 |
|---|---|
| Molecular Weight | 770.26 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 770.25745 |
| Heavy Atoms | 56 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 30719-67-6 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)OC(=O)C)OC(=O)C)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)OC(=O)C)OC(=O)C)C(C)C)OC(=O)C)OC(=O)C |
| InChIKey | LJKDPUCDUDLUOM-UHFFFAOYSA-N |
Product Overview
Gossypol hexaacetate (CAS 30719-67-6), with molecular formula C42H42O14 and molecular weight 770.26 g/mol. IUPAC: [3,8-diacetyloxy-1-formyl-6-methyl-4-propan-2-yl-7-(1,6,7-triacetyloxy-8-formyl-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalen-2-yl] acetate.
Chemical Property Profile of Gossypol hexaacetate
Property Insights of Gossypol hexaacetate
The XLogP value of 6.5 indicates that Gossypol hexaacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting Gossypol hexaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gossypol hexaacetate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gossypol hexaacetate?
The CAS number of Gossypol hexaacetate is 30719-67-6.
What is the molecular formula of Gossypol hexaacetate?
The molecular formula of Gossypol hexaacetate is C42H42O14.
What is the molecular weight of Gossypol hexaacetate?
The molecular weight of Gossypol hexaacetate is 770.26 g/mol.
Where can I buy Gossypol hexaacetate?
You can request a quote for Gossypol hexaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gossypol hexaacetate?
Yes, KEHONG BIO provides custom synthesis services for Gossypol hexaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.