3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid
TL;DR: 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid (CAS 34576-90-4) is a chemical compound with molecular formula C9H3Cl3O2S and molecular weight 279.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6-trichloro-1-benzothiophene-2-carboxylic acid
Also Known As: 3,4,6-trichloro-1-benzothiophene-2-carboxylic acid, 3,4,6-Trichloro-benzo[b]thiophene-2-carboxylic acid, N-Benzhydryl-2-methylamino-acetamide, 3,4,6-trichlorobenzo[b]thiophene-2-carboxylic acid, 3,4,6-Trichlorbenzothiophen-2-carbonsaeure
| Molecular Formula | C9H3Cl3O2S |
|---|---|
| Molecular Weight | 279.89 g/mol |
| LogP | 4.5597 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.89194 |
| Heavy Atoms | 15 |
| Complexity | 561.9731 |
Chemical Identifiers
| CAS Number | 34576-90-4 |
|---|---|
| SMILES | C1=C(C=C(C2=C1SC(=C2Cl)C(=O)O)Cl)Cl |
Product Overview
3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid (CAS 34576-90-4), with molecular formula C9H3Cl3O2S and molecular weight 279.89 g/mol. IUPAC: 3,4,6-trichloro-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid
Property Insights of 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid
The XLogP value of 4.5597 indicates that 3,4,6-Trichloro-1-benzothiophene-2-carboxylic 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, 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,6-Trichloro-1-benzothiophene-2-carboxylic 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 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid?
The CAS number of 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid is 34576-90-4.
What is the molecular formula of 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid?
The molecular formula of 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid is C9H3Cl3O2S.
What is the molecular weight of 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid?
The molecular weight of 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid is 279.89 g/mol.
Where can I buy 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid?
You can request a quote for 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.