Castalagin
TL;DR: Castalagin (CAS 24312-00-3) 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.
(46R)-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: Castalagin, Vescalagin, hexadecahydroxy[?]pentone, (46R)-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
| Molecular Formula | C41H26O26 |
|---|---|
| Molecular Weight | 934.07 g/mol |
| LogP | 1.318 |
| Topological Polar Surface Area | 455.18 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 0 |
| Exact Mass | 934.0712 |
| Heavy Atoms | 67 |
| Complexity | 3187.8467 |
Chemical Identifiers
| CAS Number | 24312-00-3 |
|---|---|
| SMILES | C1C2C(C3C4[C@@H](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 |
Product Overview
Castalagin (CAS 24312-00-3), with molecular formula C41H26O26 and molecular weight 934.07 g/mol. IUPAC: (46R)-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 Castalagin
Property Insights of Castalagin
The XLogP value of 1.318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Castalagin. The TPSA of 455.18 Ų indicates high polarity, suggesting Castalagin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Castalagin 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 Castalagin?
The CAS number of Castalagin is 24312-00-3.
What is the molecular formula of Castalagin?
The molecular formula of Castalagin is C41H26O26.
What is the molecular weight of Castalagin?
The molecular weight of Castalagin is 934.07 g/mol.
Where can I buy Castalagin?
You can request a quote for Castalagin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Castalagin?
Yes, KEHONG BIO provides custom synthesis services for Castalagin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.