Vanilloylzygadenine
TL;DR: Vanilloylzygadenine (CAS 67370-01-8) is a chemical compound with molecular formula C35H49NO10 and molecular weight 643.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate
Also Known As: Vanilloylzygadenine, 3-Vaniloylzygadenine, 4-21-00-06777 (Beilstein Handbook Reference), Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-(4-hydroxy-3-methoxybenzoate), (3-beta,4-alpha,15-alpha,16-beta)-, BRN 0075007
| Molecular Formula | C35H49NO10 |
|---|---|
| Molecular Weight | 643.34 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 643.33563 |
| Heavy Atoms | 46 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 67370-01-8 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@](C3[C@H]([C@@H]([C@]4(C5CCC6[C@]7([C@@]5(CC4C3CN2C1)O[C@]6([C@H](CC7)OC(=O)C8=CC(=C(C=C8)O)OC)O)C)O)O)O)(C)O |
| InChIKey | NIEIJAOPLMFSMK-OYYCYGOVSA-N |
Product Overview
Vanilloylzygadenine (CAS 67370-01-8), with molecular formula C35H49NO10 and molecular weight 643.34 g/mol. IUPAC: [(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate.
Chemical Property Profile of Vanilloylzygadenine
Property Insights of Vanilloylzygadenine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanilloylzygadenine. The TPSA of 169.0 Ų indicates high polarity, suggesting Vanilloylzygadenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vanilloylzygadenine has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vanilloylzygadenine?
The CAS number of Vanilloylzygadenine is 67370-01-8.
What is the molecular formula of Vanilloylzygadenine?
The molecular formula of Vanilloylzygadenine is C35H49NO10.
What is the molecular weight of Vanilloylzygadenine?
The molecular weight of Vanilloylzygadenine is 643.34 g/mol.
Where can I buy Vanilloylzygadenine?
You can request a quote for Vanilloylzygadenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanilloylzygadenine?
Yes, KEHONG BIO provides custom synthesis services for Vanilloylzygadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.