Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid
TL;DR: Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid (CAS 51689-36-2) is a chemical compound with molecular formula C13H8O4 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzo-p-dioxin-1-carboxylic acid
Also Known As: dibenzo-p-dioxin-1-carboxylic acid, Oxanthrene-1-carboxylic Acid, Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid, Dibenzo[1,4]dioxin-1-carboxylic acid, J1.102.964G
| Molecular Formula | C13H8O4 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.04225 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 51689-36-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC3=CC=CC(=C3O2)C(=O)O |
| InChIKey | ZISOCEYFKWEUBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid (CAS 51689-36-2), with molecular formula C13H8O4 and molecular weight 228.04 g/mol. IUPAC: dibenzo-p-dioxin-1-carboxylic acid.
Chemical Property Profile of Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid
Property Insights of Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid
The XLogP value of 3.9 indicates that Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid has 1 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 Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid?
The CAS number of Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid is 51689-36-2.
What is the molecular formula of Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid?
The molecular formula of Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid is C13H8O4.
What is the molecular weight of Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid?
The molecular weight of Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid is 228.04 g/mol.
Where can I buy Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid?
You can request a quote for Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)(1,4)dioxin-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.