Emoxyl
TL;DR: Emoxyl (CAS 84412-94-2) is a chemical compound with molecular formula C36H46N4O10 and molecular weight 694.32 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
Also Known As: Emoxyl, Ruboxyl, (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, 1-Piperidinyloxy, 4-((1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazono)-2,2,6,6-tetramethyl-, (2S-cis)-
| Molecular Formula | C36H46N4O10 |
|---|---|
| Molecular Weight | 694.32 g/mol |
| LogP | 3.299 |
| Topological Polar Surface Area | 216.96 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 694.3214 |
| Heavy Atoms | 50 |
| Complexity | 1788.1254 |
Chemical Identifiers
| CAS Number | 84412-94-2 |
|---|---|
| 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 |
Product Overview
Emoxyl (CAS 84412-94-2), with molecular formula C36H46N4O10 and molecular weight 694.32 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.
Chemical Property Profile of Emoxyl
Property Insights of Emoxyl
The XLogP value of 3.299 indicates that Emoxyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.96 Ų indicates high polarity, suggesting Emoxyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emoxyl 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 Emoxyl?
The CAS number of Emoxyl is 84412-94-2.
What is the molecular formula of Emoxyl?
The molecular formula of Emoxyl is C36H46N4O10.
What is the molecular weight of Emoxyl?
The molecular weight of Emoxyl is 694.32 g/mol.
Where can I buy Emoxyl?
You can request a quote for Emoxyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emoxyl?
Yes, KEHONG BIO provides custom synthesis services for Emoxyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.