Eleutherobin
TL;DR: Eleutherobin (CAS 174545-76-7) is a chemical compound with molecular formula C35H48N2O10 and molecular weight 656.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4R,8R,9S,10Z,12R)-11-[[(2R,3S,4R,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate
Also Known As: Eleutherobin, ELEUTHEROBIN [MI], [(1S,2S,4R,8R,9S,10Z,12R)-11-[[(2R,3S,4R,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate, ((1S,2S,4R,8R,9S,10Z,12R)-11-(((2R,3S,4R,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl)oxymethyl)-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo(10.2.1.04,9)pentadeca-5,10,13-trien-2-yl) (E)-3-(1-methylimidazol-4-yl)prop-2-enoate, (1R,11Z)-1beta-Isopropyl-4,7-dimethyl-6alpha-[[(2E)-3-(1-methyl-4-imidazolyl)acryloyl]oxy]-10-methoxy-11-(2-O-acetyl-beta-D-arabinopyranosyloxymethyl)-7beta,10beta-epoxy-1,2,4abeta,5,6,7,10,12abeta-octahydrobenzocyclodecene
| Molecular Formula | C35H48N2O10 |
|---|---|
| Molecular Weight | 656.33 g/mol |
| LogP | 3.244 |
| Topological Polar Surface Area | 147.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 656.3309 |
| Heavy Atoms | 47 |
| Complexity | 1430.6653 |
Chemical Identifiers
| CAS Number | 174545-76-7 |
|---|---|
| SMILES | CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/CO[C@H]4[C@H]([C@@H]([C@@H](CO4)O)O)OC(=O)C)OC)C)OC(=O)/C=C/C5=CN(C=N5)C)C(C)C |
Product Overview
Eleutherobin (CAS 174545-76-7), with molecular formula C35H48N2O10 and molecular weight 656.33 g/mol. IUPAC: [(1S,2S,4R,8R,9S,10Z,12R)-11-[[(2R,3S,4R,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate.
Chemical Property Profile of Eleutherobin
Property Insights of Eleutherobin
The XLogP value of 3.244 indicates that Eleutherobin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.8 Ų indicates high polarity, suggesting Eleutherobin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eleutherobin has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eleutherobin?
The CAS number of Eleutherobin is 174545-76-7.
What is the molecular formula of Eleutherobin?
The molecular formula of Eleutherobin is C35H48N2O10.
What is the molecular weight of Eleutherobin?
The molecular weight of Eleutherobin is 656.33 g/mol.
Where can I buy Eleutherobin?
You can request a quote for Eleutherobin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eleutherobin?
Yes, KEHONG BIO provides custom synthesis services for Eleutherobin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.