2,4'-Di-O-methylnorsekikaic acid
TL;DR: 2,4'-Di-O-methylnorsekikaic acid (CAS 69563-43-5) is a chemical compound with molecular formula C22H26O8 and molecular weight 418.16 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-propylbenzoic acid
Also Known As: 2,4'-Di-O-methylnorsekikaic acid, 2-hydroxy-3-[oxy]-4-methoxy-6-propylbenzoicacid, 2-Hydroxy-3-[ oxy]-4-methoxy-6-propylbenzoicacid, 2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-propylbenzoic acid, Benzoic acid, 2-hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-propyl-
| Molecular Formula | C22H26O8 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 418.16278 |
| Heavy Atoms | 30 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 69563-43-5 |
|---|---|
| SMILES | CCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2OC)O)CCC)OC |
| InChIKey | PMTPDCTYVRVNCB-UHFFFAOYSA-N |
Product Overview
2,4'-Di-O-methylnorsekikaic acid (CAS 69563-43-5), with molecular formula C22H26O8 and molecular weight 418.16 g/mol. IUPAC: 2-hydroxy-3-(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-propylbenzoic acid.
Chemical Property Profile of 2,4'-Di-O-methylnorsekikaic acid
Property Insights of 2,4'-Di-O-methylnorsekikaic acid
The XLogP value of 5.3 indicates that 2,4'-Di-O-methylnorsekikaic 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 2,4'-Di-O-methylnorsekikaic acid. Following Lipinski's Rule of Five, 2,4'-Di-O-methylnorsekikaic 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 2,4'-Di-O-methylnorsekikaic acid?
The CAS number of 2,4'-Di-O-methylnorsekikaic acid is 69563-43-5.
What is the molecular formula of 2,4'-Di-O-methylnorsekikaic acid?
The molecular formula of 2,4'-Di-O-methylnorsekikaic acid is C22H26O8.
What is the molecular weight of 2,4'-Di-O-methylnorsekikaic acid?
The molecular weight of 2,4'-Di-O-methylnorsekikaic acid is 418.16 g/mol.
Where can I buy 2,4'-Di-O-methylnorsekikaic acid?
You can request a quote for 2,4'-Di-O-methylnorsekikaic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4'-Di-O-methylnorsekikaic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4'-Di-O-methylnorsekikaic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.