Aerocavin
TL;DR: Aerocavin (CAS 113702-00-4) is a chemical compound with molecular formula C27H44O6 and molecular weight 464.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C27H44O6 |
|---|---|
| Molecular Weight | 464.31 g/mol |
| LogP | 5.6284 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 464.31378 |
| Heavy Atoms | 33 |
| Complexity | 663.5227 |
Chemical Identifiers
| CAS Number | 113702-00-4 |
|---|---|
| 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 |
Product Overview
Aerocavin (CAS 113702-00-4), with molecular formula C27H44O6 and molecular weight 464.31 g/mol. IUPAC: 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.
Chemical Property Profile of Aerocavin
Property Insights of Aerocavin
The XLogP value of 5.6284 indicates that Aerocavin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.06 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 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 464.31 g/mol.
Where can I buy Aerocavin?
You can request a quote for Aerocavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aerocavin?
Yes, KEHONG BIO provides custom synthesis services for Aerocavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.