Di-p-tolyl oxalate
TL;DR: Di-p-tolyl oxalate (CAS 63867-33-4) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-methylphenyl) oxalate
Also Known As: Di-p-tolyl oxalate, Di-m-tolyl oxalate, bis(3-methylphenyl) oxalate, Oxalsaeure-di-m-tolylester, oxalic acid di-m-tolyl ester
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 63867-33-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C(=O)OC2=CC=CC(=C2)C |
| InChIKey | RRJJVVWKGKHXFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-p-tolyl oxalate (CAS 63867-33-4), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: bis(3-methylphenyl) oxalate.
Chemical Property Profile of Di-p-tolyl oxalate
Property Insights of Di-p-tolyl oxalate
The XLogP value of 4.2 indicates that Di-p-tolyl oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Di-p-tolyl oxalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-p-tolyl oxalate 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 Di-p-tolyl oxalate?
The CAS number of Di-p-tolyl oxalate is 63867-33-4.
What is the molecular formula of Di-p-tolyl oxalate?
The molecular formula of Di-p-tolyl oxalate is C16H14O4.
What is the molecular weight of Di-p-tolyl oxalate?
The molecular weight of Di-p-tolyl oxalate is 270.09 g/mol.
Where can I buy Di-p-tolyl oxalate?
You can request a quote for Di-p-tolyl oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-p-tolyl oxalate?
Yes, KEHONG BIO provides custom synthesis services for Di-p-tolyl oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.