Erythrophleguine
TL;DR: Erythrophleguine (CAS 4829-28-1) is a chemical compound with molecular formula C25H39NO6 and molecular weight 449.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate
Also Known As: Erythrophleguine, methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate, methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-(2-dimethylaminoethyloxy)-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate, (1S,4balpha,7E,8abeta,10aalpha)-7-[2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-10alpha-hydroxy-1,4abeta,8alpha-trimethyl-9-oxo-1beta-phenanthrenecarboxylic acid methyl ester, Methyl (13E)-13-{2-[2-(dimethylamino)ethoxy]-2-oxoethylidene}-6alpha-hydroxy-14alpha-methyl-7-oxopodocarpan-16-oate
| Molecular Formula | C25H39NO6 |
|---|---|
| Molecular Weight | 449.28 g/mol |
| LogP | 2.6092 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.27774 |
| Heavy Atoms | 32 |
| Complexity | 791.30164 |
Chemical Identifiers
| CAS Number | 4829-28-1 |
|---|---|
| SMILES | C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCN(C)C)[C@]3(CCC[C@]([C@@H]3[C@H](C2=O)O)(C)C(=O)OC)C |
Product Overview
Erythrophleguine (CAS 4829-28-1), with molecular formula C25H39NO6 and molecular weight 449.28 g/mol. IUPAC: methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Erythrophleguine
Property Insights of Erythrophleguine
The XLogP value of 2.6092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erythrophleguine. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Erythrophleguine. Following Lipinski's Rule of Five, Erythrophleguine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Erythrophleguine?
The CAS number of Erythrophleguine is 4829-28-1.
What is the molecular formula of Erythrophleguine?
The molecular formula of Erythrophleguine is C25H39NO6.
What is the molecular weight of Erythrophleguine?
The molecular weight of Erythrophleguine is 449.28 g/mol.
Where can I buy Erythrophleguine?
You can request a quote for Erythrophleguine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erythrophleguine?
Yes, KEHONG BIO provides custom synthesis services for Erythrophleguine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.