Mecoprop-2-octyl ester
TL;DR: Mecoprop-2-octyl ester (CAS 28473-03-2) is a chemical compound with molecular formula C42H64O19 and molecular weight 872.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,8R,9R,10S,13S,14R)-14-hydroxy-3-[(2S,3R,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Mecoprop-2-octyl ester
| Molecular Formula | C42H64O19 |
|---|---|
| Molecular Weight | 872.40 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 872.4042 |
| Heavy Atoms | 61 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 28473-03-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2CC[C@@]3([C@@H](C2)CC[C@@H]4[C@H]3CC[C@@]5([C@]4(CCC5C6=CC(=O)OC6)O)C)C=O)O)OC)O[C@@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)CO[C@@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)CO)O)O)O)O)O)O |
| InChIKey | WPNLWBRKPZXVGD-NZDWEONCSA-N |
Product Overview
Mecoprop-2-octyl ester (CAS 28473-03-2), with molecular formula C42H64O19 and molecular weight 872.40 g/mol. IUPAC: (3R,5R,8R,9R,10S,13S,14R)-14-hydroxy-3-[(2S,3R,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Mecoprop-2-octyl ester
Property Insights of Mecoprop-2-octyl ester
The XLogP value of -3.0 indicates that Mecoprop-2-octyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 290.0 Ų indicates high polarity, suggesting Mecoprop-2-octyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mecoprop-2-octyl ester has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mecoprop-2-octyl ester?
The CAS number of Mecoprop-2-octyl ester is 28473-03-2.
What is the molecular formula of Mecoprop-2-octyl ester?
The molecular formula of Mecoprop-2-octyl ester is C42H64O19.
What is the molecular weight of Mecoprop-2-octyl ester?
The molecular weight of Mecoprop-2-octyl ester is 872.40 g/mol.
Where can I buy Mecoprop-2-octyl ester?
You can request a quote for Mecoprop-2-octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mecoprop-2-octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mecoprop-2-octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.