Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride
TL;DR: Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride (CAS 83059-99-8) is a chemical compound with molecular formula C45H59ClN2O9 and molecular weight 806.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[(9R,10S,13S,14R,15R,16S,18R)-13-ethyl-14,18-dihydroxy-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-15-yl]acetate chloride
Also Known As: Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride, Strophanthidin-3-beta-O-acetyl-2'-N(b)ajmaline chloride, Ajmalanium, 4-(2-(((3-beta,5-beta,14-beta)-21,23-epoxy-5,14-dihydroxy-19,23-dioxo-24-norchol-20(22)-en-3-yl)oxy)-2-oxoethyl)-17,21-dihydroxy-, chloride, (17R,21-alpha)-, RefChem:1099098
| Molecular Formula | C45H59ClN2O9 |
|---|---|
| Molecular Weight | 806.39 g/mol |
| LogP | 0.536 |
| Topological Polar Surface Area | 153.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 806.3909 |
| Heavy Atoms | 57 |
| Complexity | 1946.2175 |
Chemical Identifiers
| CAS Number | 83059-99-8 |
|---|---|
| SMILES | CC[C@@H]1[C@H]([N@+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(=O)O[C@H]7CC[C@@]8([C@H]9CC[C@@]1([C@H](CC[C@@]1([C@@H]9CC[C@@]8(C7)O)O)C1=CC(=O)OC1)C)C=O)O.[Cl-] |
Product Overview
Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride (CAS 83059-99-8), with molecular formula C45H59ClN2O9 and molecular weight 806.39 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[(9R,10S,13S,14R,15R,16S,18R)-13-ethyl-14,18-dihydroxy-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-15-yl]acetate chloride.
Chemical Property Profile of Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride
Property Insights of Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride
The XLogP value of 0.536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride. The TPSA of 153.83 Ų indicates high polarity, suggesting Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride?
The CAS number of Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride is 83059-99-8.
What is the molecular formula of Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride?
The molecular formula of Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride is C45H59ClN2O9.
What is the molecular weight of Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride?
The molecular weight of Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride is 806.39 g/mol.
Where can I buy Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride?
You can request a quote for Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride?
Yes, KEHONG BIO provides custom synthesis services for Strophanthidin 3beta-O-acetyl-2'-N(b)ajmaline chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.