3,4,5-Trichloro-2-thiophenecarboxylic acid
TL;DR: 3,4,5-Trichloro-2-thiophenecarboxylic acid (CAS 26020-48-4) is a chemical compound with molecular formula C5HCl3O2S and molecular weight 229.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trichlorothiophene-2-carboxylic acid
Also Known As: 3,4,5-trichlorothiophene-2-carboxylic Acid, t-Butylhydrazine.HCl, trichlorothiophene-2-carboxylic acid, Rivaroxaban Impurity 23, C5HCl3O2S
| Molecular Formula | C5HCl3O2S |
|---|---|
| Molecular Weight | 229.88 g/mol |
| LogP | 3.4065 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.87628 |
| Heavy Atoms | 11 |
| Complexity | 306.92133 |
Chemical Identifiers
| CAS Number | 26020-48-4 |
|---|---|
| SMILES | C1(=C(SC(=C1Cl)Cl)C(=O)O)Cl |
Product Overview
3,4,5-Trichloro-2-thiophenecarboxylic acid (CAS 26020-48-4), with molecular formula C5HCl3O2S and molecular weight 229.88 g/mol. IUPAC: 3,4,5-trichlorothiophene-2-carboxylic acid.
Chemical Property Profile of 3,4,5-Trichloro-2-thiophenecarboxylic acid
Property Insights of 3,4,5-Trichloro-2-thiophenecarboxylic acid
The XLogP value of 3.4065 indicates that 3,4,5-Trichloro-2-thiophenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,4,5-Trichloro-2-thiophenecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trichloro-2-thiophenecarboxylic acid has 1 hydrogen bond donor(s) and 2 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 3,4,5-Trichloro-2-thiophenecarboxylic acid?
The CAS number of 3,4,5-Trichloro-2-thiophenecarboxylic acid is 26020-48-4.
What is the molecular formula of 3,4,5-Trichloro-2-thiophenecarboxylic acid?
The molecular formula of 3,4,5-Trichloro-2-thiophenecarboxylic acid is C5HCl3O2S.
What is the molecular weight of 3,4,5-Trichloro-2-thiophenecarboxylic acid?
The molecular weight of 3,4,5-Trichloro-2-thiophenecarboxylic acid is 229.88 g/mol.
Where can I buy 3,4,5-Trichloro-2-thiophenecarboxylic acid?
You can request a quote for 3,4,5-Trichloro-2-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trichloro-2-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trichloro-2-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.