Monoperoxyphthalic acid
TL;DR: Monoperoxyphthalic acid (CAS 2311-91-3) is a chemical compound with molecular formula C8H6O5 and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carbonoperoxoylbenzoic acid
Also Known As: Perphthalic acid, Monoperphthalic acid, 2-carboperoxybenzoic acid, perphthalate, 2-carbonoperoxoylbenzoic acid
| Molecular Formula | C8H6O5 |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.02153 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 2311-91-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)C(=O)OO |
| InChIKey | GLVYLTSKTCWWJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monoperoxyphthalic acid (CAS 2311-91-3), with molecular formula C8H6O5 and molecular weight 182.02 g/mol. IUPAC: 2-carbonoperoxoylbenzoic acid.
Chemical Property Profile of Monoperoxyphthalic acid
Property Insights of Monoperoxyphthalic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monoperoxyphthalic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoperoxyphthalic acid. Following Lipinski's Rule of Five, Monoperoxyphthalic acid has 2 hydrogen bond donor(s) and 5 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 Monoperoxyphthalic acid?
The CAS number of Monoperoxyphthalic acid is 2311-91-3.
What is the molecular formula of Monoperoxyphthalic acid?
The molecular formula of Monoperoxyphthalic acid is C8H6O5.
What is the molecular weight of Monoperoxyphthalic acid?
The molecular weight of Monoperoxyphthalic acid is 182.02 g/mol.
Where can I buy Monoperoxyphthalic acid?
You can request a quote for Monoperoxyphthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoperoxyphthalic acid?
Yes, KEHONG BIO provides custom synthesis services for Monoperoxyphthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.