Bis(4-methylphenyl) benzene-1,4-dicarboxylate
TL;DR: Bis(4-methylphenyl) benzene-1,4-dicarboxylate (CAS 4135-49-3) is a chemical compound with molecular formula C22H18O4 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylphenyl) benzene-1,4-dicarboxylate
Also Known As: Terephthalic acid di-p-tolyl ester, Bis(4-methylphenyl) terephthalate, Terephthalic acid, di-p-tolyl ester, Bis(4-methylphenyl) terephthalate #, bis(4-methylphenyl) benzene-1,4-dicarboxylate
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 4135-49-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C |
| InChIKey | XOGHUKBCGNLXOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(4-methylphenyl) benzene-1,4-dicarboxylate (CAS 4135-49-3), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: bis(4-methylphenyl) benzene-1,4-dicarboxylate.
Chemical Property Profile of Bis(4-methylphenyl) benzene-1,4-dicarboxylate
Property Insights of Bis(4-methylphenyl) benzene-1,4-dicarboxylate
The XLogP value of 5.5 indicates that Bis(4-methylphenyl) benzene-1,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(4-methylphenyl) benzene-1,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(4-methylphenyl) benzene-1,4-dicarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(4-methylphenyl) benzene-1,4-dicarboxylate?
The CAS number of Bis(4-methylphenyl) benzene-1,4-dicarboxylate is 4135-49-3.
What is the molecular formula of Bis(4-methylphenyl) benzene-1,4-dicarboxylate?
The molecular formula of Bis(4-methylphenyl) benzene-1,4-dicarboxylate is C22H18O4.
What is the molecular weight of Bis(4-methylphenyl) benzene-1,4-dicarboxylate?
The molecular weight of Bis(4-methylphenyl) benzene-1,4-dicarboxylate is 346.12 g/mol.
Where can I buy Bis(4-methylphenyl) benzene-1,4-dicarboxylate?
You can request a quote for Bis(4-methylphenyl) benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-methylphenyl) benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-methylphenyl) benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.