4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)
TL;DR: 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1) (CAS 63937-16-6) is a chemical compound with molecular formula C27H44ClNO8 and molecular weight 545.2756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,6S,9S,10R,11S,12S,14R,19S,22R,23S,25R)-6,10,19-trimethyl-24-oxa-4-azoniaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptol chloride
Also Known As: Cevine HCl hydrate, Cevine hydrochloride, Sabadinine hydrochloride, Cevine hydrochloride dihydrate, Cevane-3-alpha,4-beta,12,14,16-beta,20-heptol, 4,9-epoxy-, hydrochloride, dihydrate
Technical Specifications
| Molecular Formula | C27H44ClNO8 |
| Molecular Weight | 545.2756 g/mol |
| XLogP | -4.94 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 545.2756 Da |
| Heavy Atoms | 37 |
| Complexity | 999.0 |
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4(C5CCC6[C@]7([C@]5(C[C@]4(C3C[NH+]2C1)O)O[C@@]6([C@@H](CC7)O)O)C)O)O)O)(C)O.[Cl-] |
| InChIKey | BOPCVKJJANJMDO-IJLXEGJUSA-N |
Chemical Property Profile of 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)
Property Insights of 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)
The XLogP value of -4.94 indicates that 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1) has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)?
The CAS number of 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1) is 63937-16-6.
What is the molecular formula of 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)?
The molecular formula of 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1) is C27H44ClNO8.
What is the molecular weight of 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)?
The molecular weight of 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1) is 545.2756 g/mol.
Where can I buy 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)?
You can request a quote for 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.