4''-O-Methylcatalposide
TL;DR: 4''-O-Methylcatalposide (CAS 887140-17-2) is a chemical compound with molecular formula C23H28O12 and molecular weight 496.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-methoxybenzoate
Also Known As: 4''-O-Methylcatalposide
| Molecular Formula | C23H28O12 |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | -1.717 |
| Topological Polar Surface Area | 176.9 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.15808 |
| Heavy Atoms | 35 |
| Complexity | 950.3251 |
Chemical Identifiers
| CAS Number | 887140-17-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
Product Overview
4''-O-Methylcatalposide (CAS 887140-17-2), with molecular formula C23H28O12 and molecular weight 496.16 g/mol. IUPAC: [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-methoxybenzoate.
Chemical Property Profile of 4''-O-Methylcatalposide
Property Insights of 4''-O-Methylcatalposide
The XLogP value of -1.717 indicates that 4''-O-Methylcatalposide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.9 Ų indicates high polarity, suggesting 4''-O-Methylcatalposide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4''-O-Methylcatalposide has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4''-O-Methylcatalposide?
The CAS number of 4''-O-Methylcatalposide is 887140-17-2.
What is the molecular formula of 4''-O-Methylcatalposide?
The molecular formula of 4''-O-Methylcatalposide is C23H28O12.
What is the molecular weight of 4''-O-Methylcatalposide?
The molecular weight of 4''-O-Methylcatalposide is 496.16 g/mol.
Where can I buy 4''-O-Methylcatalposide?
You can request a quote for 4''-O-Methylcatalposide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4''-O-Methylcatalposide?
Yes, KEHONG BIO provides custom synthesis services for 4''-O-Methylcatalposide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.