Dibenzothiophene-4-carboxylic acid
TL;DR: Dibenzothiophene-4-carboxylic acid (CAS 2786-08-5) is a chemical compound with molecular formula C13H8O2S and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzothiophene-4-carboxylic acid
Also Known As: 4-Dibenzothiophenecarboxylic acid, Dibenzothiophene-4-carboxylic acid, dibenzo[b,d]thiophene-4-carboxylic acid, 4-Dibenzothiophenecarboxylicacid, dibenzothiophene-4-carboxylicacid
| Molecular Formula | C13H8O2S |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.0245 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 2786-08-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C(=O)O |
| InChIKey | WHDBZUDFOQNASQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzothiophene-4-carboxylic acid (CAS 2786-08-5), with molecular formula C13H8O2S and molecular weight 228.02 g/mol. IUPAC: dibenzothiophene-4-carboxylic acid.
Chemical Property Profile of Dibenzothiophene-4-carboxylic acid
Property Insights of Dibenzothiophene-4-carboxylic acid
The XLogP value of 3.8 indicates that Dibenzothiophene-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzothiophene-4-carboxylic acid. Following Lipinski's Rule of Five, Dibenzothiophene-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 Dibenzothiophene-4-carboxylic acid?
The CAS number of Dibenzothiophene-4-carboxylic acid is 2786-08-5.
What is the molecular formula of Dibenzothiophene-4-carboxylic acid?
The molecular formula of Dibenzothiophene-4-carboxylic acid is C13H8O2S.
What is the molecular weight of Dibenzothiophene-4-carboxylic acid?
The molecular weight of Dibenzothiophene-4-carboxylic acid is 228.02 g/mol.
Where can I buy Dibenzothiophene-4-carboxylic acid?
You can request a quote for Dibenzothiophene-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzothiophene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Dibenzothiophene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.