Veratroylzygadenine
TL;DR: Veratroylzygadenine (CAS 31329-58-5) is a chemical compound with molecular formula C36H51NO10 and molecular weight 657.35 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,23S,25R)-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] 3,4-dimethoxybenzoate
Also Known As: Veratroylzygadenine, 4-21-00-06777 (Beilstein Handbook Reference), 4,9-Epoxycevane-3-beta,4-beta,14,15-alpha,16-beta,20-hexol 3-veratrate, CEVANE-3-beta,4-beta,14,15-alpha,16-beta,20-HEXOL, 4,9-EPOXY-, 3-VERATRATE, RefChem:1093224
| Molecular Formula | C36H51NO10 |
|---|---|
| Molecular Weight | 657.35 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 657.3513 |
| Heavy Atoms | 47 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 31329-58-5 |
|---|---|
| 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)OC)OC)O)C)O)O)O)(C)O |
| InChIKey | LQZYJVWXEFXUJG-IWIHHSMWSA-N |
Product Overview
Veratroylzygadenine (CAS 31329-58-5), with molecular formula C36H51NO10 and molecular weight 657.35 g/mol. IUPAC: [(6S,9S,10S,12R,13S,14S,19S,22S,23S,25R)-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] 3,4-dimethoxybenzoate.
Chemical Property Profile of Veratroylzygadenine
Property Insights of Veratroylzygadenine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Veratroylzygadenine. The TPSA of 158.0 Ų indicates high polarity, suggesting Veratroylzygadenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Veratroylzygadenine has 5 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 Veratroylzygadenine?
The CAS number of Veratroylzygadenine is 31329-58-5.
What is the molecular formula of Veratroylzygadenine?
The molecular formula of Veratroylzygadenine is C36H51NO10.
What is the molecular weight of Veratroylzygadenine?
The molecular weight of Veratroylzygadenine is 657.35 g/mol.
Where can I buy Veratroylzygadenine?
You can request a quote for Veratroylzygadenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Veratroylzygadenine?
Yes, KEHONG BIO provides custom synthesis services for Veratroylzygadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.