1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester (CAS 59935-80-7) 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(3-methylphenyl) benzene-1,2-dicarboxylate
Also Known As: Phthalic acid, di(3-methylphenyl) ester, bis(3-methylphenyl) benzene-1,2-dicarboxylate, Phthalic acid,di(3-methylphenyl) ester, 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester, RefChem:1052131
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 4.74184 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 881.1159 |
Chemical Identifiers
| CAS Number | 59935-80-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC(=C3)C |
Product Overview
1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester (CAS 59935-80-7), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: bis(3-methylphenyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester
The XLogP value of 4.74184 indicates that 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester 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 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester is 59935-80-7.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester is C22H18O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester is 346.12 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.