Tonkinelin
TL;DR: Tonkinelin (CAS 945026-79-9) is a chemical compound with molecular formula C37H70O4 and molecular weight 578.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-[(15R,16R)-15,16-dihydroxydotriacontyl]-2-methyl-2H-furan-5-one
Also Known As: Tonkinelin, (17R,18R)-tonkinelin, J2.917.397D, (2S)-4-[(15R,16R)-15,16-dihydroxydotriacontyl]-2-methyl-2H-furan-5-one, (5S)-3-[(15R,16R)-15,16-Dihydroxydotriacontyl]-5-methylfuran-2(5H)-one
| Molecular Formula | C37H70O4 |
|---|---|
| Molecular Weight | 578.53 g/mol |
| LogP | 10.9127 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 31 |
| Exact Mass | 578.5274 |
| Heavy Atoms | 41 |
| Complexity | 616.0694 |
Chemical Identifiers
| CAS Number | 945026-79-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCC1=C[C@@H](OC1=O)C)O)O |
Product Overview
Tonkinelin (CAS 945026-79-9), with molecular formula C37H70O4 and molecular weight 578.53 g/mol. IUPAC: (2S)-4-[(15R,16R)-15,16-dihydroxydotriacontyl]-2-methyl-2H-furan-5-one.
Chemical Property Profile of Tonkinelin
Property Insights of Tonkinelin
The XLogP value of 10.9127 indicates that Tonkinelin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Tonkinelin. Following Lipinski's Rule of Five, Tonkinelin has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tonkinelin?
The CAS number of Tonkinelin is 945026-79-9.
What is the molecular formula of Tonkinelin?
The molecular formula of Tonkinelin is C37H70O4.
What is the molecular weight of Tonkinelin?
The molecular weight of Tonkinelin is 578.53 g/mol.
Where can I buy Tonkinelin?
You can request a quote for Tonkinelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tonkinelin?
Yes, KEHONG BIO provides custom synthesis services for Tonkinelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.