Aerocavin
TL;DR: Aerocavin (CAS 113702-00-4) is a chemical compound with molecular formula C27H44O6 and molecular weight 464.31378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3E,6Z,9Z,12R,14S)-12-hydroxy-14-[(2R)-2-hydroxyundecyl]-10-methyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-4-yl]acetic acid
Also Known As: Aerocavin, 2-[(3E,6Z,9Z,12R,14S)-12-hydroxy-14-[(2R)-2-hydroxyundecyl]-10-methyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-4-yl]acetic acid, Oxacyclotetradeca-3,6,9-triene-4-acetic acid, 12-hydroxy-14-(2-hydroxyundecyl)-10-methyl-2-oxo-, (3E,6E,9E,12R*,14S*(R*))-(+)-, 12-hydroxy-14-(2-hydroxyundecyl)-10-methyl-2-oxooxacyclotetradeca-3,6,9-triene-4-acetic acid, 2-((3E,6Z,9Z,12R,14S)-12-hydroxy-14-((2R)-2-hydroxyundecyl)-10-methyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-4-yl)acetic acid
Technical Specifications
| Molecular Formula | C27H44O6 |
| Molecular Weight | 464.31378 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 464.31378 Da |
| Heavy Atoms | 33 |
| Complexity | 664.0 |
| SMILES | CCCCCCCCC[C@H](C[C@H]1C[C@@H](C/C(=C\C/C=C\C/C(=C\C(=O)O1)/CC(=O)O)/C)O)O |
| InChIKey | OJPUZRWFAWDJHP-DSACNGRVSA-N |
Chemical Property Profile of Aerocavin
Property Insights of Aerocavin
The XLogP value of 5.8 indicates that Aerocavin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aerocavin. Following Lipinski's Rule of Five, Aerocavin has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Aerocavin?
The CAS number of Aerocavin is 113702-00-4.
What is the molecular formula of Aerocavin?
The molecular formula of Aerocavin is C27H44O6.
What is the molecular weight of Aerocavin?
The molecular weight of Aerocavin is 464.31378 g/mol.
Where can I buy Aerocavin?
You can request a quote for Aerocavin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aerocavin?
Yes, CoreyChem provides custom synthesis services for Aerocavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.