Roxolonium Metilsulfate
TL;DR: Roxolonium Metilsulfate (CAS 53862-80-9) is a chemical compound with molecular formula C38H63NO8S and molecular weight 693.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate;methyl sulfate
Also Known As: Roxolonium metilsulfate, Roxoloni metilsulfas, Metilsulfate de roxolonium, Metilsulfato de rozolonio, Roxolonium metilsulphate
| Molecular Formula | C38H63NO8S |
|---|---|
| Molecular Weight | 693.43 g/mol |
| LogP | 6.203 |
| Topological Polar Surface Area | 130.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 693.4274 |
| Heavy Atoms | 48 |
| Complexity | 1439.3309 |
Chemical Identifiers
| CAS Number | 53862-80-9 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)OCC6CCC[N+]6(C)C.COS(=O)(=O)[O-] |
Product Overview
Roxolonium Metilsulfate (CAS 53862-80-9), with molecular formula C38H63NO8S and molecular weight 693.43 g/mol. IUPAC: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate;methyl sulfate.
Chemical Property Profile of Roxolonium Metilsulfate
Property Insights of Roxolonium Metilsulfate
The XLogP value of 6.203 indicates that Roxolonium Metilsulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Roxolonium Metilsulfate. Following Lipinski's Rule of Five, Roxolonium Metilsulfate has 1 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 Roxolonium Metilsulfate?
The CAS number of Roxolonium Metilsulfate is 53862-80-9.
What is the molecular formula of Roxolonium Metilsulfate?
The molecular formula of Roxolonium Metilsulfate is C38H63NO8S.
What is the molecular weight of Roxolonium Metilsulfate?
The molecular weight of Roxolonium Metilsulfate is 693.43 g/mol.
Where can I buy Roxolonium Metilsulfate?
You can request a quote for Roxolonium Metilsulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxolonium Metilsulfate?
Yes, KEHONG BIO provides custom synthesis services for Roxolonium Metilsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.