4'-O-Methylpaludosic acid
TL;DR: 4'-O-Methylpaludosic acid (CAS 69563-44-6) is a chemical compound with molecular formula C24H30O8 and molecular weight 446.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-pentylbenzoic acid
Also Known As: 4'-O-Methylpaludosic acid, 2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pentylbenzoic acid, Benzoic acid, 2-hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pentyl-, 2-hydroxy-3-(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-pentylbenzoic acid, 2-hydroxy-3-(4-hydroxy-2-methoxy-6-propylbenzoyloxy)-4-methoxy-6-pentylbenzoic acid
| Molecular Formula | C24H30O8 |
|---|---|
| Molecular Weight | 446.19 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 446.19406 |
| Heavy Atoms | 32 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 69563-44-6 |
|---|---|
| SMILES | CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2OC)O)CCC)OC |
| InChIKey | FUQNKYILTGFJSB-UHFFFAOYSA-N |
Product Overview
4'-O-Methylpaludosic acid (CAS 69563-44-6), with molecular formula C24H30O8 and molecular weight 446.19 g/mol. IUPAC: 2-hydroxy-3-(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-pentylbenzoic acid.
Chemical Property Profile of 4'-O-Methylpaludosic acid
Property Insights of 4'-O-Methylpaludosic acid
The XLogP value of 6.4 indicates that 4'-O-Methylpaludosic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-O-Methylpaludosic acid. Following Lipinski's Rule of Five, 4'-O-Methylpaludosic acid has 3 hydrogen bond donor(s) and 8 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-Methylpaludosic acid?
The CAS number of 4'-O-Methylpaludosic acid is 69563-44-6.
What is the molecular formula of 4'-O-Methylpaludosic acid?
The molecular formula of 4'-O-Methylpaludosic acid is C24H30O8.
What is the molecular weight of 4'-O-Methylpaludosic acid?
The molecular weight of 4'-O-Methylpaludosic acid is 446.19 g/mol.
Where can I buy 4'-O-Methylpaludosic acid?
You can request a quote for 4'-O-Methylpaludosic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-O-Methylpaludosic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-O-Methylpaludosic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.