Monensin methyl ester
TL;DR: Monensin methyl ester (CAS 28636-21-7) is a chemical compound with molecular formula C37H64O11 and molecular weight 684.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Monensin methyl ester
methyl (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate
Also Known As: Monensin methyl ester, MON1 compound, Monensin, methyl ester, Monensin A methyl ester, methyl (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate
| Molecular Formula | C37H64O11 |
|---|---|
| Molecular Weight | 684.44 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 684.4449 |
| Heavy Atoms | 48 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 28636-21-7 |
|---|---|
| SMILES | CC[C@]1(CC[C@@H](O1)[C@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@H](C)[C@@H]([C@@H](C)C(=O)OC)OC)C)O)C)[C@@H]4[C@@H](C[C@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C |
| InChIKey | PFRZSHIENRKVSE-RJTHVKINSA-N |
Product Overview
Monensin methyl ester (CAS 28636-21-7), with molecular formula C37H64O11 and molecular weight 684.44 g/mol. IUPAC: methyl (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate.
Chemical Property Profile of Monensin methyl ester
Property Insights of Monensin methyl ester
The XLogP value of 4.5 indicates that Monensin methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Monensin methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Monensin methyl ester has 3 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 Monensin methyl ester?
The CAS number of Monensin methyl ester is 28636-21-7.
What is the molecular formula of Monensin methyl ester?
The molecular formula of Monensin methyl ester is C37H64O11.
What is the molecular weight of Monensin methyl ester?
The molecular weight of Monensin methyl ester is 684.44 g/mol.
Where can I buy Monensin methyl ester?
You can request a quote for Monensin methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monensin methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Monensin methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.