Gossypol tetracetic acid
TL;DR: Gossypol tetracetic acid (CAS 773-01-3) is a chemical compound with molecular formula C38H38O12 and molecular weight 686.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-acetyloxy-7-(1,7-diacetyloxy-8-formyl-6-hydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-1-formyl-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-yl] acetate
Also Known As: Gossypol tetracetic acid, Gossypol tetra-acetic acid, KST-1B8513, 1,1',7,7'-Tetrakis(acetyloxy)-6,6'-dihydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-(2,2'-binaphthalene)-8,8'-dicarboxaldehyde, [8-acetyloxy-7-(1,7-diacetyloxy-8-formyl-6-hydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-1-formyl-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-yl] acetate
| Molecular Formula | C38H38O12 |
|---|---|
| Molecular Weight | 686.24 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 686.2363 |
| Heavy Atoms | 50 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 773-01-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)OC(=O)C)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)OC(=O)C)O)C(C)C)OC(=O)C)OC(=O)C |
| InChIKey | RNTHCZIQFPASNI-UHFFFAOYSA-N |
Product Overview
Gossypol tetracetic acid (CAS 773-01-3), with molecular formula C38H38O12 and molecular weight 686.24 g/mol. IUPAC: [8-acetyloxy-7-(1,7-diacetyloxy-8-formyl-6-hydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-1-formyl-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-yl] acetate.
Chemical Property Profile of Gossypol tetracetic acid
Property Insights of Gossypol tetracetic acid
The XLogP value of 6.3 indicates that Gossypol tetracetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.0 Ų indicates high polarity, suggesting Gossypol tetracetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gossypol tetracetic acid has 2 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 Gossypol tetracetic acid?
The CAS number of Gossypol tetracetic acid is 773-01-3.
What is the molecular formula of Gossypol tetracetic acid?
The molecular formula of Gossypol tetracetic acid is C38H38O12.
What is the molecular weight of Gossypol tetracetic acid?
The molecular weight of Gossypol tetracetic acid is 686.24 g/mol.
Where can I buy Gossypol tetracetic acid?
You can request a quote for Gossypol tetracetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gossypol tetracetic acid?
Yes, KEHONG BIO provides custom synthesis services for Gossypol tetracetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.