thielocin A1alpha
TL;DR: thielocin A1alpha (CAS 156483-88-4) is a chemical compound with molecular formula C54H60O18 and molecular weight 996.378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[7-(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-4,4a-dihydroxy-6-methoxy-3,4,5,8,9a-pentamethyl-1-oxo-9H-xanthene-2-carbonyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid
Also Known As: Thielocin A1beta, Thielocin A1alpha, Theilocin A1alpha, theilocin A1 alpha, THIELOCIN A1A
Technical Specifications
| Molecular Formula | C54H60O18 |
| Molecular Weight | 996.378 g/mol |
| XLogP | 8.3 |
| Topological Polar Surface Area (TPSA) | 257.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Exact Mass | 996.378 Da |
| Heavy Atoms | 72 |
| Complexity | 2130.0 |
| SMILES | CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(C4(C(C3=O)(CC5=C(C(=C(C(=C5O4)C)OC)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)C)C)O)(C)O)C)C)OC)C |
| InChIKey | DEUPNPRGHXXEHM-UHFFFAOYSA-N |
Chemical Property Profile of thielocin A1alpha
Property Insights of thielocin A1alpha
The XLogP value of 8.3 indicates that thielocin A1alpha is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 257.0 Ų indicates high polarity, suggesting thielocin A1alpha may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, thielocin A1alpha has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of thielocin A1alpha?
The CAS number of thielocin A1alpha is 156483-88-4.
What is the molecular formula of thielocin A1alpha?
The molecular formula of thielocin A1alpha is C54H60O18.
What is the molecular weight of thielocin A1alpha?
The molecular weight of thielocin A1alpha is 996.378 g/mol.
Where can I buy thielocin A1alpha?
You can request a quote for thielocin A1alpha directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for thielocin A1alpha?
Yes, CoreyChem provides custom synthesis services for thielocin A1alpha and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.