![Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid structure](/static/products/415/41552-35-6.png)
Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid
TL;DR: Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid (CAS 41552-35-6) is a chemical compound with molecular formula C11H6O2S2 and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thieno[3,2-e][1]benzothiole-4-carboxylic acid
Also Known As: Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid, thieno[3,2-e][1]benzothiole-4-carboxylic acid
| Molecular Formula | C11H6O2S2 |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.98093 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 41552-35-6 |
|---|---|
| SMILES | C1=CSC2=C1C3=C(C(=C2)C(=O)O)SC=C3 |
| InChIKey | JCRSYXFIIPOCHM-UHFFFAOYSA-N |
Product Overview
Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid (CAS 41552-35-6), with molecular formula C11H6O2S2 and molecular weight 233.98 g/mol. IUPAC: thieno[3,2-e][1]benzothiole-4-carboxylic acid.
Chemical Property Profile of Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid
Property Insights of Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid
The XLogP value of 3.5 indicates that Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid. Following Lipinski's Rule of Five, Benzo[1,2-b:4,3-b']dithiophene-4-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 Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid?
The CAS number of Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid is 41552-35-6.
What is the molecular formula of Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid?
The molecular formula of Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid is C11H6O2S2.
What is the molecular weight of Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid?
The molecular weight of Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid is 233.98 g/mol.
Where can I buy Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid?
You can request a quote for Benzo[1,2-b:4,3-b']dithiophene-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 Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,2-b:4,3-b']dithiophene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.