(3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol
TL;DR: (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol (CAS 545-45-9) is a chemical compound with molecular formula C27H43NO7 and molecular weight 493.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,22,23-hexol
Also Known As: Zygadenine, Zygadenin, ZYGADENINE [MI], 4,9-Epoxycevane-3,4,14,15,16,20-hexol, (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,22,23-hexol
| Molecular Formula | C27H43NO7 |
|---|---|
| Molecular Weight | 493.30 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 493.30396 |
| Heavy Atoms | 35 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 545-45-9 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@@H]3[C@@H](CN2C1)[C@@H]4C[C@@]56[C@H]([C@@]4([C@H]([C@@H]3O)O)O)CC[C@H]7[C@@]5(CC[C@@H]([C@]7(O6)O)O)C)(C)O |
| InChIKey | NPNDUIMQBJIGQS-IDFKWMMPSA-N |
Product Overview
(3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol (CAS 545-45-9), with molecular formula C27H43NO7 and molecular weight 493.30 g/mol. IUPAC: (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,22,23-hexol.
Chemical Property Profile of (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol
Property Insights of (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol
The XLogP value of -0.1 indicates that (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol. Following Lipinski's Rule of Five, (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol?
The CAS number of (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol is 545-45-9.
What is the molecular formula of (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol?
The molecular formula of (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol is C27H43NO7.
What is the molecular weight of (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol?
The molecular weight of (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol is 493.30 g/mol.
Where can I buy (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol?
You can request a quote for (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol?
Yes, KEHONG BIO provides custom synthesis services for (3beta,4alpha,15alpha,16beta)-4,9-Epoxycevane-3,4,14,15,16,20-hexol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.