Tricresyl ethyl phthalate
TL;DR: Tricresyl ethyl phthalate (CAS 94166-68-4) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
Also Known As: Tricresyl ethyl phthalate, Phthalic acid, ethyl 2-methylphenyl ester, Ethyl 2-methylphenyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, ethyl methylphenyl ester, 1-O-ethyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 94166-68-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=CC=C2C |
| InChIKey | SYIXLSSBCKQAAT-UHFFFAOYSA-N |
Product Overview
Tricresyl ethyl phthalate (CAS 94166-68-4), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: 1-O-ethyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Tricresyl ethyl phthalate
Property Insights of Tricresyl ethyl phthalate
The XLogP value of 3.8 indicates that Tricresyl ethyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Tricresyl ethyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tricresyl ethyl phthalate has 0 hydrogen bond donor(s) and 4 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 Tricresyl ethyl phthalate?
The CAS number of Tricresyl ethyl phthalate is 94166-68-4.
What is the molecular formula of Tricresyl ethyl phthalate?
The molecular formula of Tricresyl ethyl phthalate is C17H16O4.
What is the molecular weight of Tricresyl ethyl phthalate?
The molecular weight of Tricresyl ethyl phthalate is 284.10 g/mol.
Where can I buy Tricresyl ethyl phthalate?
You can request a quote for Tricresyl ethyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tricresyl ethyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Tricresyl ethyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.