Gossylic nitrile-1,1'-diacetate
TL;DR: Gossylic nitrile-1,1'-diacetate (CAS 94242-60-1) is a chemical compound with molecular formula C34H32N2O8 and molecular weight 596.2159 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(1-acetyloxy-8-cyano-6,7-dihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-8-cyano-6,7-dihydroxy-3-methyl-5-propan-2-ylnaphthalen-1-yl] acetate
Also Known As: Gossypol deriv., Carb T3, Gossylic nitrile-1,1'-diacetate, Gossylic nitrile diacetate, Carbamylated triiodothyronine
Technical Specifications
| Molecular Formula | C34H32N2O8 |
| Molecular Weight | 596.2159 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 596.2159 Da |
| Heavy Atoms | 44 |
| Complexity | 1080.0 |
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C#N)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C#N)O)O)C(C)C)OC(=O)C)OC(=O)C |
| InChIKey | PJGMFCLYZJAAEP-UHFFFAOYSA-N |
Chemical Property Profile of Gossylic nitrile-1,1'-diacetate
Property Insights of Gossylic nitrile-1,1'-diacetate
The XLogP value of 7.7 indicates that Gossylic nitrile-1,1'-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Gossylic nitrile-1,1'-diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gossylic nitrile-1,1'-diacetate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Gossylic nitrile-1,1'-diacetate?
The CAS number of Gossylic nitrile-1,1'-diacetate is 94242-60-1.
What is the molecular formula of Gossylic nitrile-1,1'-diacetate?
The molecular formula of Gossylic nitrile-1,1'-diacetate is C34H32N2O8.
What is the molecular weight of Gossylic nitrile-1,1'-diacetate?
The molecular weight of Gossylic nitrile-1,1'-diacetate is 596.2159 g/mol.
Where can I buy Gossylic nitrile-1,1'-diacetate?
You can request a quote for Gossylic nitrile-1,1'-diacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gossylic nitrile-1,1'-diacetate?
Yes, CoreyChem provides custom synthesis services for Gossylic nitrile-1,1'-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.