Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate
TL;DR: Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate (CAS 76331-32-3) is a chemical compound with molecular formula C29H26O2 and molecular weight 406.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate
Also Known As: ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate, J2.727.024G, 2,5-Dimethyl-3,4,6-triphenylbenzoic acid ethyl ester, ethyl 2,5-dimethyl-3,6-diphenyl-[1,1'-biphenyl]-4-carboxylate, Ethyl 2~3~,2~6~-dimethyl-2~5~-phenyl[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-carboxylate
| Molecular Formula | C29H26O2 |
|---|---|
| Molecular Weight | 406.19 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.19327 |
| Heavy Atoms | 31 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 76331-32-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C(=C1C)C2=CC=CC=C2)C3=CC=CC=C3)C)C4=CC=CC=C4 |
| InChIKey | WNEOWEAJYKIOLA-UHFFFAOYSA-N |
Product Overview
Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate (CAS 76331-32-3), with molecular formula C29H26O2 and molecular weight 406.19 g/mol. IUPAC: ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate.
Chemical Property Profile of Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate
Property Insights of Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate
The XLogP value of 7.7 indicates that Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate?
The CAS number of Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate is 76331-32-3.
What is the molecular formula of Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate?
The molecular formula of Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate is C29H26O2.
What is the molecular weight of Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate?
The molecular weight of Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate is 406.19 g/mol.
Where can I buy Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate?
You can request a quote for Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.