Gigantetroneninone
TL;DR: Gigantetroneninone (CAS 17754-66-4) is a chemical compound with molecular formula C37H66O7 and molecular weight 622.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R)-3-(2-oxopropyl)-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-trihydroxyhenicos-8-enyl]oxolan-2-yl]pentyl]oxolan-2-one
Also Known As: Gigantetroneninone, 2,4-cis-Gigantetroneninone, gigantetroneninone, (trans)-, 2,5-bis(chloromethyl)-1,3-dinitrobenzene, (3S,5R)-3-(2-oxopropyl)-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-trihydroxyhenicos-8-enyl]oxolan-2-yl]pentyl]oxolan-2-one
| Molecular Formula | C37H66O7 |
|---|---|
| Molecular Weight | 622.48 g/mol |
| LogP | 7.9056 |
| Topological Polar Surface Area | 113.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 27 |
| Exact Mass | 622.48083 |
| Heavy Atoms | 44 |
| Complexity | 783.8137 |
Chemical Identifiers
| CAS Number | 17754-66-4 |
|---|---|
| SMILES | CCCCCCCCCCCC/C=C\CC[C@H]([C@@H](CC[C@@H]([C@@H]1CC[C@H](O1)CCCCC[C@@H]2C[C@H](C(=O)O2)CC(=O)C)O)O)O |
Product Overview
Gigantetroneninone (CAS 17754-66-4), with molecular formula C37H66O7 and molecular weight 622.48 g/mol. IUPAC: (3S,5R)-3-(2-oxopropyl)-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-trihydroxyhenicos-8-enyl]oxolan-2-yl]pentyl]oxolan-2-one.
Chemical Property Profile of Gigantetroneninone
Property Insights of Gigantetroneninone
The XLogP value of 7.9056 indicates that Gigantetroneninone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Gigantetroneninone. Following Lipinski's Rule of Five, Gigantetroneninone has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gigantetroneninone?
The CAS number of Gigantetroneninone is 17754-66-4.
What is the molecular formula of Gigantetroneninone?
The molecular formula of Gigantetroneninone is C37H66O7.
What is the molecular weight of Gigantetroneninone?
The molecular weight of Gigantetroneninone is 622.48 g/mol.
Where can I buy Gigantetroneninone?
You can request a quote for Gigantetroneninone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gigantetroneninone?
Yes, KEHONG BIO provides custom synthesis services for Gigantetroneninone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.