Protoveratrine hydrochloride
TL;DR: Protoveratrine hydrochloride (CAS 58445-86-6) is a chemical compound with molecular formula C41H64ClNO14 and molecular weight 829.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S,9S,10S,12R,13S,14S,16S,17R,19S,22S,23S,25R)-16-acetyloxy-17-carboxyoxy-10,12,14-trihydroxy-6,10,19,23-tetramethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azoniaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-hydroxy-2-methylbutanoate chloride
Also Known As: Protoveratrine hydrochloride, Protoveratrine A hydrochloride, Cevane-3-beta,4-beta,6-alpha,7-alpha,14,15-alpha,16-beta,20-octol, 4,9-epoxy-, 6,7-diacetate, 3-((+)-2-hydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate), hydrochloride
| Molecular Formula | C41H64ClNO14 |
|---|---|
| Molecular Weight | 829.40 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 829.40155 |
| Heavy Atoms | 57 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 58445-86-6 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@H]1[C@@H](C2C(C[NH+]3C[C@H](CC[C@H]3[C@@]2(C)O)C)C4[C@@]1(C5[C@@H]([C@@H](C6[C@]7([C@]5(C4)O[C@@]6([C@H](CC7)OC(=O)C(C)(CC)O)C)C)OC(=O)O)OC(=O)C)O)O.[Cl-] |
| InChIKey | IVOGIYDJLMXXSV-LXQDISIGSA-N |
Product Overview
Protoveratrine hydrochloride (CAS 58445-86-6), with molecular formula C41H64ClNO14 and molecular weight 829.40 g/mol. IUPAC: [(6S,9S,10S,12R,13S,14S,16S,17R,19S,22S,23S,25R)-16-acetyloxy-17-carboxyoxy-10,12,14-trihydroxy-6,10,19,23-tetramethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azoniaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-hydroxy-2-methylbutanoate chloride.
Chemical Property Profile of Protoveratrine hydrochloride
Property Insights of Protoveratrine hydrochloride
The XLogP value of -1.6 indicates that Protoveratrine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting Protoveratrine hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Protoveratrine hydrochloride has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Protoveratrine hydrochloride?
The CAS number of Protoveratrine hydrochloride is 58445-86-6.
What is the molecular formula of Protoveratrine hydrochloride?
The molecular formula of Protoveratrine hydrochloride is C41H64ClNO14.
What is the molecular weight of Protoveratrine hydrochloride?
The molecular weight of Protoveratrine hydrochloride is 829.40 g/mol.
Where can I buy Protoveratrine hydrochloride?
You can request a quote for Protoveratrine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Protoveratrine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Protoveratrine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.