Tonkinecin
TL;DR: Tonkinecin (CAS 174819-52-4) is a chemical compound with molecular formula C37H68O6 and molecular weight 608.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-[(3S,15R)-3,15-dihydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
Also Known As: Tonkinecin, ( )-Tonkinecin, (+)-Tonkinecin, (2S)-4-[(3S,15R)-3,15-dihydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one, (2S)-4-((3S,15R)-3,15-dihydroxy-15-((2R,5R)-5-((1R)-1-hydroxytridecyl)oxolan-2-yl)pentadecyl)-2-methyl-2H-furan-5-one
| Molecular Formula | C37H68O6 |
|---|---|
| Molecular Weight | 608.50 g/mol |
| LogP | 11.2 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 28 |
| Exact Mass | 608.5016 |
| Heavy Atoms | 43 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 174819-52-4 |
|---|---|
| SMILES | CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCC[C@@H](CCC2=C[C@@H](OC2=O)C)O)O)O |
| InChIKey | BJNHGCXQPCYJLU-CXPQHEJVSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tonkinecin (CAS 174819-52-4), with molecular formula C37H68O6 and molecular weight 608.50 g/mol. IUPAC: (2S)-4-[(3S,15R)-3,15-dihydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one.
Chemical Property Profile of Tonkinecin
Property Insights of Tonkinecin
The XLogP value of 11.2 indicates that Tonkinecin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Tonkinecin. Following Lipinski's Rule of Five, Tonkinecin has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tonkinecin?
The CAS number of Tonkinecin is 174819-52-4.
What is the molecular formula of Tonkinecin?
The molecular formula of Tonkinecin is C37H68O6.
What is the molecular weight of Tonkinecin?
The molecular weight of Tonkinecin is 608.50 g/mol.
Where can I buy Tonkinecin?
You can request a quote for Tonkinecin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tonkinecin?
Yes, KEHONG BIO provides custom synthesis services for Tonkinecin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.