Ruboxyl
TL;DR: Ruboxyl (CAS 84413-73-0) is a chemical compound with molecular formula C36H47ClN4O10 and molecular weight 730.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-[(E)-N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-C-methylcarbonimidoyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: Ruboxyl, Emoksil, Emoxyl hydrochloride, Ruboxyl hydrochloride, Ruboxyl-1 hydrochloride
| Molecular Formula | C36H47ClN4O10 |
|---|---|
| Molecular Weight | 730.30 g/mol |
| LogP | 3.7208 |
| Topological Polar Surface Area | 216.96 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 730.2981 |
| Heavy Atoms | 51 |
| Complexity | 1795.2263 |
Chemical Identifiers
| CAS Number | 84413-73-0 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/N=C6CC(N(C(C6)(C)C)O)(C)C)/C)O)N)O.Cl |
Product Overview
Ruboxyl (CAS 84413-73-0), with molecular formula C36H47ClN4O10 and molecular weight 730.30 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-[(E)-N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-C-methylcarbonimidoyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of Ruboxyl
Property Insights of Ruboxyl
The XLogP value of 3.7208 indicates that Ruboxyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.96 Ų indicates high polarity, suggesting Ruboxyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ruboxyl has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ruboxyl?
The CAS number of Ruboxyl is 84413-73-0.
What is the molecular formula of Ruboxyl?
The molecular formula of Ruboxyl is C36H47ClN4O10.
What is the molecular weight of Ruboxyl?
The molecular weight of Ruboxyl is 730.30 g/mol.
Where can I buy Ruboxyl?
You can request a quote for Ruboxyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ruboxyl?
Yes, KEHONG BIO provides custom synthesis services for Ruboxyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.