Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester (CAS 97209-93-3) is a chemical compound with molecular formula C22H26O10 and molecular weight 450.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,5-trimethoxybenzoyl)oxyethyl 3,4,5-trimethoxybenzoate
Also Known As: Di-O-(3,4,5-trimethoxybenzoyl)ethylene glycol, 3,4,5-Trimethoxybenzoic acid 1,2-ethanediyl ester, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 1,2-ETHANEDIYL ESTER, J2.037.250H, Bis(3,4,5-trimethoxybenzoic acid)ethylene ester
| Molecular Formula | C22H26O10 |
|---|---|
| Molecular Weight | 450.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 450.1526 |
| Heavy Atoms | 32 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 97209-93-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | NJAAEHLJHJCXQM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester (CAS 97209-93-3), with molecular formula C22H26O10 and molecular weight 450.15 g/mol. IUPAC: 2-(3,4,5-trimethoxybenzoyl)oxyethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester
The XLogP value of 3.2 indicates that Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester is 97209-93-3.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester is C22H26O10.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester is 450.15 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.