Roxolonium
TL;DR: Roxolonium (CAS 53862-79-6) is a chemical compound with molecular formula C37H60NO4+ and molecular weight 582.45 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
Also Known As: Roxolonium, Roxolonium ion, Roxolonium cation, Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (1,1-dimethylpyrrolidinium-2-yl)methyl ester, (3beta,20beta)-, OLEAN-12-EN-29-OIC ACID, 3-HYDROXY-11-OXO-, (1,1-DIMETHYLPYRROLIDINIUM-2-YL)METHYL ESTER, (3.BETA.,20.BETA.)-
| Molecular Formula | C37H60NO4+ |
|---|---|
| Molecular Weight | 582.45 g/mol |
| LogP | 7.11 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 582.4522 |
| Heavy Atoms | 42 |
| Complexity | 1188.1462 |
Chemical Identifiers
| CAS Number | 53862-79-6 |
|---|---|
| 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 |
Product Overview
Roxolonium (CAS 53862-79-6), with molecular formula C37H60NO4+ and molecular weight 582.45 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.
Chemical Property Profile of Roxolonium
Property Insights of Roxolonium
The XLogP value of 7.11 indicates that Roxolonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Roxolonium. Following Lipinski's Rule of Five, Roxolonium has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Roxolonium?
The CAS number of Roxolonium is 53862-79-6.
What is the molecular formula of Roxolonium?
The molecular formula of Roxolonium is C37H60NO4+.
What is the molecular weight of Roxolonium?
The molecular weight of Roxolonium is 582.45 g/mol.
Where can I buy Roxolonium?
You can request a quote for Roxolonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxolonium?
Yes, KEHONG BIO provides custom synthesis services for Roxolonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.