Ascidiatrienolide A
TL;DR: Ascidiatrienolide A (CAS 122752-22-1) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,5Z,8Z)-3-hydroxy-7-[(1E,3E)-undeca-1,3,10-trienyl]-2,3,4,7-tetrahydrooxecin-10-one
Also Known As: Ascidiatrienolide A, (3R,5Z,8Z)-3-hydroxy-7-[(1E,3E)-undeca-1,3,10-trienyl]-2,3,4,7-tetrahydrooxecin-10-one, (3Z,6Z,9R)-9-hydroxy-5-[(1E,3E)-undeca-1,3,10-trienyl]-5,8,9,10-tetrahydrooxecin-2-one, 2H-Oxecin-2-one, 3,4,5,8,9,10-hexahydro-9-hydroxy-10-(1E,3Z,5Z)-1,3,5-undecatrienyl-, (6Z,9R,10S)-
Technical Specifications
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.20386 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 316.20386 Da |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
| SMILES | C=CCCCCC/C=C/C=C/C/1/C=C\C[C@H](COC(=O)/C=C1)O |
| InChIKey | WVHKFMVSCLMJNI-KMXUQIHVSA-N |
Chemical Property Profile of Ascidiatrienolide A
Property Insights of Ascidiatrienolide A
The XLogP value of 5.3 indicates that Ascidiatrienolide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Ascidiatrienolide A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ascidiatrienolide A has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ascidiatrienolide A?
The CAS number of Ascidiatrienolide A is 122752-22-1.
What is the molecular formula of Ascidiatrienolide A?
The molecular formula of Ascidiatrienolide A is C20H28O3.
What is the molecular weight of Ascidiatrienolide A?
The molecular weight of Ascidiatrienolide A is 316.20386 g/mol.
Where can I buy Ascidiatrienolide A?
You can request a quote for Ascidiatrienolide A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ascidiatrienolide A?
Yes, CoreyChem provides custom synthesis services for Ascidiatrienolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.