Methyl (4-methylphenyl)methyl terephthalate
TL;DR: Methyl (4-methylphenyl)methyl terephthalate (CAS 67801-55-2) 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-methyl 4-O-[(4-methylphenyl)methyl] benzene-1,4-dicarboxylate
Also Known As: Methyl (4-methylphenyl)methyl terephthalate, Methyl 4-methylbenzyl terephthalate, (4-Methylbenzyl)-4-carbomethoxy benzoate, 1,4-Benzenedicarboxylic acid, methyl (4-methylphenyl)methyl ester, Methyl(4-methylphenyl)methylterephthalate
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.5 |
| 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 | 350.0 |
Chemical Identifiers
| CAS Number | 67801-55-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=O)OC |
| InChIKey | DOGSNXUOLYILLP-UHFFFAOYSA-N |
Product Overview
Methyl (4-methylphenyl)methyl terephthalate (CAS 67801-55-2), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: 1-O-methyl 4-O-[(4-methylphenyl)methyl] benzene-1,4-dicarboxylate.
Chemical Property Profile of Methyl (4-methylphenyl)methyl terephthalate
Property Insights of Methyl (4-methylphenyl)methyl terephthalate
The XLogP value of 3.5 indicates that Methyl (4-methylphenyl)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, Methyl (4-methylphenyl)methyl terephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (4-methylphenyl)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 Methyl (4-methylphenyl)methyl terephthalate?
The CAS number of Methyl (4-methylphenyl)methyl terephthalate is 67801-55-2.
What is the molecular formula of Methyl (4-methylphenyl)methyl terephthalate?
The molecular formula of Methyl (4-methylphenyl)methyl terephthalate is C17H16O4.
What is the molecular weight of Methyl (4-methylphenyl)methyl terephthalate?
The molecular weight of Methyl (4-methylphenyl)methyl terephthalate is 284.10 g/mol.
Where can I buy Methyl (4-methylphenyl)methyl terephthalate?
You can request a quote for Methyl (4-methylphenyl)methyl terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-methylphenyl)methyl terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-methylphenyl)methyl terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.