Neohalicholactone
TL;DR: Neohalicholactone (CAS 124190-21-2) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4Z)-2-[(2R)-2-[(1R,2E,4R,6E)-1,4-dihydroxynona-2,6-dienyl]cyclopropyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one
Also Known As: Neohalicholactone, (2S,4Z)-2-[(2R)-2-[(1R,2E,4R,6E)-1,4-dihydroxynona-2,6-dienyl]cyclopropyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one
Technical Specifications
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.21442 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.21442 Da |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
| SMILES | CC/C=C/C[C@H](/C=C/[C@H]([C@@H]1CC1[C@@H]2C/C=C\CCCC(=O)O2)O)O |
| InChIKey | BTDSTEQIFQUGOV-HQAQAYCDSA-N |
Chemical Property Profile of Neohalicholactone
Property Insights of Neohalicholactone
The XLogP value of 3.1 indicates that Neohalicholactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Neohalicholactone. Following Lipinski's Rule of Five, Neohalicholactone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Neohalicholactone?
The CAS number of Neohalicholactone is 124190-21-2.
What is the molecular formula of Neohalicholactone?
The molecular formula of Neohalicholactone is C20H30O4.
What is the molecular weight of Neohalicholactone?
The molecular weight of Neohalicholactone is 334.21442 g/mol.
Where can I buy Neohalicholactone?
You can request a quote for Neohalicholactone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neohalicholactone?
Yes, CoreyChem provides custom synthesis services for Neohalicholactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.