1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester
TL;DR: 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester (CAS 67846-10-0) is a chemical compound with molecular formula C23H18O6 and molecular weight 390.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(phenylmethoxycarbonyl)benzoic acid
Also Known As: 3,4-bis[(benzyloxy)carbonyl]benzoic acid, 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester, 3,4-bis(phenylmethoxycarbonyl)benzoic acid, 1,2-Dibenzyl hydrogen benzene-1,2,4-tricarboxylate, 1,2-dibenzylhydrogenbenzene-1,2,4-tricarboxylate
| Molecular Formula | C23H18O6 |
|---|---|
| Molecular Weight | 390.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 390.11035 |
| Heavy Atoms | 29 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 67846-10-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)OCC3=CC=CC=C3 |
| InChIKey | DCFMBJGEQFRYCO-UHFFFAOYSA-N |
Product Overview
1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester (CAS 67846-10-0), with molecular formula C23H18O6 and molecular weight 390.11 g/mol. IUPAC: 3,4-bis(phenylmethoxycarbonyl)benzoic acid.
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester
Property Insights of 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester
The XLogP value of 4.1 indicates that 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester has 1 hydrogen bond donor(s) and 6 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 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester?
The CAS number of 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester is 67846-10-0.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester is C23H18O6.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester is 390.11 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, 1,2-bis(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.