Diethyl 1,3,5-benzenetricarboxylate
TL;DR: Diethyl 1,3,5-benzenetricarboxylate (CAS 4105-93-5) is a chemical compound with molecular formula C13H14O6 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(ethoxycarbonyl)benzoic acid
Also Known As: Diethyl 1,3,5-benzenetricarboxylate, 3,5-bis(ethoxycarbonyl)benzoic Acid, Diethyl 5-carboxyisophthalate, 3,5-Bis(ethoxycarbonyl)benzoate, DIETHYL1,3,5-BENZENETRICARBOXYLATE
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.7382 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 469.60495 |
Chemical Identifiers
| CAS Number | 4105-93-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)C(=O)O)C(=O)OCC |
Product Overview
Diethyl 1,3,5-benzenetricarboxylate (CAS 4105-93-5), with molecular formula C13H14O6 and molecular weight 266.08 g/mol. IUPAC: 3,5-bis(ethoxycarbonyl)benzoic acid.
Chemical Property Profile of Diethyl 1,3,5-benzenetricarboxylate
Property Insights of Diethyl 1,3,5-benzenetricarboxylate
The XLogP value of 1.7382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1,3,5-benzenetricarboxylate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1,3,5-benzenetricarboxylate. Following Lipinski's Rule of Five, Diethyl 1,3,5-benzenetricarboxylate has 1 hydrogen bond donor(s) and 5 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 Diethyl 1,3,5-benzenetricarboxylate?
The CAS number of Diethyl 1,3,5-benzenetricarboxylate is 4105-93-5.
What is the molecular formula of Diethyl 1,3,5-benzenetricarboxylate?
The molecular formula of Diethyl 1,3,5-benzenetricarboxylate is C13H14O6.
What is the molecular weight of Diethyl 1,3,5-benzenetricarboxylate?
The molecular weight of Diethyl 1,3,5-benzenetricarboxylate is 266.08 g/mol.
Where can I buy Diethyl 1,3,5-benzenetricarboxylate?
You can request a quote for Diethyl 1,3,5-benzenetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1,3,5-benzenetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1,3,5-benzenetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.