(2,2':5',2''-Terthiophene)-5-carboxylic acid
TL;DR: (2,2':5',2''-Terthiophene)-5-carboxylic acid (CAS 87145-85-5) is a chemical compound with molecular formula C13H8O2S3 and molecular weight 291.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylic acid
Also Known As: SPIRADOLINE, .alpha.-T COOH deriv., (2,2':5',2''-Terthiophene)-5-carboxylic acid, 5-carboxy-2,2':5',2"-terthiophene, [2,2':5',2''-Terthiophene]-5-carboxylic acid
| Molecular Formula | C13H8O2S3 |
|---|---|
| Molecular Weight | 291.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.96863 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 87145-85-5 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C(=O)O |
| InChIKey | LUORRMUDVBMZFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,2':5',2''-Terthiophene)-5-carboxylic acid (CAS 87145-85-5), with molecular formula C13H8O2S3 and molecular weight 291.97 g/mol. IUPAC: 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylic acid.
Chemical Property Profile of (2,2':5',2''-Terthiophene)-5-carboxylic acid
Property Insights of (2,2':5',2''-Terthiophene)-5-carboxylic acid
The XLogP value of 4.2 indicates that (2,2':5',2''-Terthiophene)-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2':5',2''-Terthiophene)-5-carboxylic acid. Following Lipinski's Rule of Five, (2,2':5',2''-Terthiophene)-5-carboxylic acid has 1 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 (2,2':5',2''-Terthiophene)-5-carboxylic acid?
The CAS number of (2,2':5',2''-Terthiophene)-5-carboxylic acid is 87145-85-5.
What is the molecular formula of (2,2':5',2''-Terthiophene)-5-carboxylic acid?
The molecular formula of (2,2':5',2''-Terthiophene)-5-carboxylic acid is C13H8O2S3.
What is the molecular weight of (2,2':5',2''-Terthiophene)-5-carboxylic acid?
The molecular weight of (2,2':5',2''-Terthiophene)-5-carboxylic acid is 291.97 g/mol.
Where can I buy (2,2':5',2''-Terthiophene)-5-carboxylic acid?
You can request a quote for (2,2':5',2''-Terthiophene)-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2':5',2''-Terthiophene)-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,2':5',2''-Terthiophene)-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.