2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid
TL;DR: 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid (CAS 97268-16-1) is a chemical compound with molecular formula C12H5Cl3O3S and molecular weight 333.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic acid
Also Known As: 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid, 2-[(3,4,5-Trichloro-2-thienyl)carbonyl]benzoic acid
| Molecular Formula | C12H5Cl3O3S |
|---|---|
| Molecular Weight | 333.90 g/mol |
| LogP | 4.6375 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.9025 |
| Heavy Atoms | 19 |
| Complexity | 678.8543 |
Chemical Identifiers
| CAS Number | 97268-16-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=C(C(=C(S2)Cl)Cl)Cl)C(=O)O |
Product Overview
2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid (CAS 97268-16-1), with molecular formula C12H5Cl3O3S and molecular weight 333.90 g/mol. IUPAC: 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic acid.
Chemical Property Profile of 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid
Property Insights of 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid
The XLogP value of 4.6375 indicates that 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic 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 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid?
The CAS number of 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid is 97268-16-1.
What is the molecular formula of 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid?
The molecular formula of 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid is C12H5Cl3O3S.
What is the molecular weight of 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid?
The molecular weight of 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid is 333.90 g/mol.
Where can I buy 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid?
You can request a quote for 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.