Vescalagin
TL;DR: Vescalagin (CAS 4076-50-0) is a chemical compound with molecular formula C41H26O26 and molecular weight 934.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
Also Known As: Vescalagin, Castalagin, (-)-talagin, Vescalagin (treatment), Vescalagin, (33beta)-
| Molecular Formula | C41H26O26 |
|---|---|
| Molecular Weight | 934.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 455.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 0 |
| Exact Mass | 934.0712 |
| Heavy Atoms | 67 |
| Complexity | 1960.0 |
| Melting Point | 200 °C |
Chemical Identifiers
| CAS Number | 4076-50-0 |
|---|---|
| SMILES | C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O |
| InChIKey | UDYKDZHZAKSYCO-UHFFFAOYSA-N |
Product Overview
Vescalagin (CAS 4076-50-0), with molecular formula C41H26O26 and molecular weight 934.07 g/mol. IUPAC: 7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone.
Chemical Property Profile of Vescalagin
Property Insights of Vescalagin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vescalagin. The TPSA of 455.0 Ų indicates high polarity, suggesting Vescalagin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vescalagin has 16 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vescalagin?
The CAS number of Vescalagin is 4076-50-0.
What is the molecular formula of Vescalagin?
The molecular formula of Vescalagin is C41H26O26.
What is the molecular weight of Vescalagin?
The molecular weight of Vescalagin is 934.07 g/mol.
Where can I buy Vescalagin?
You can request a quote for Vescalagin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vescalagin?
Yes, KEHONG BIO provides custom synthesis services for Vescalagin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.