2-Ethylhexyl methyl terephthalate
TL;DR: 2-Ethylhexyl methyl terephthalate (CAS 63468-13-3) is a chemical compound with molecular formula C17H24O4 and molecular weight 292.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-(2-ethylhexyl) 1-O-methyl benzene-1,4-dicarboxylate
Also Known As: 2-Ethylhexyl methyl terephthalate, 2-ethylhexylmethylterephthalate, EINECS 264-249-9, methyl (2-ethylhexyl) terephthalate, 4-O-(2-ethylhexyl) 1-O-methyl benzene-1,4-dicarboxylate
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 3.8464 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 450.36285 |
Chemical Identifiers
| CAS Number | 63468-13-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OC |
Product Overview
2-Ethylhexyl methyl terephthalate (CAS 63468-13-3), with molecular formula C17H24O4 and molecular weight 292.17 g/mol. IUPAC: 4-O-(2-ethylhexyl) 1-O-methyl benzene-1,4-dicarboxylate.
Chemical Property Profile of 2-Ethylhexyl methyl terephthalate
Property Insights of 2-Ethylhexyl methyl terephthalate
The XLogP value of 3.8464 indicates that 2-Ethylhexyl methyl terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Ethylhexyl methyl terephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl methyl terephthalate 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 2-Ethylhexyl methyl terephthalate?
The CAS number of 2-Ethylhexyl methyl terephthalate is 63468-13-3.
What is the molecular formula of 2-Ethylhexyl methyl terephthalate?
The molecular formula of 2-Ethylhexyl methyl terephthalate is C17H24O4.
What is the molecular weight of 2-Ethylhexyl methyl terephthalate?
The molecular weight of 2-Ethylhexyl methyl terephthalate is 292.17 g/mol.
Where can I buy 2-Ethylhexyl methyl terephthalate?
You can request a quote for 2-Ethylhexyl methyl terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl methyl terephthalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl methyl terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.