4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid
TL;DR: 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid (CAS 854357-47-4) is a chemical compound with molecular formula C11H9FO3S and molecular weight 240.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid
Also Known As: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid, 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic Acid, 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylicacid, 998-568-6, RefChem:523165
| Molecular Formula | C11H9FO3S |
|---|---|
| Molecular Weight | 240.03 g/mol |
| LogP | 2.885 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.02565 |
| Heavy Atoms | 16 |
| Complexity | 547.3984 |
Chemical Identifiers
| CAS Number | 854357-47-4 |
|---|---|
| SMILES | COCC1=C(SC2=CC=CC(=C21)F)C(=O)O |
Product Overview
4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid (CAS 854357-47-4), with molecular formula C11H9FO3S and molecular weight 240.03 g/mol. IUPAC: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid
Property Insights of 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid
The XLogP value of 2.885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic 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 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid?
The CAS number of 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid is 854357-47-4.
What is the molecular formula of 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid?
The molecular formula of 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid is C11H9FO3S.
What is the molecular weight of 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid?
The molecular weight of 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid is 240.03 g/mol.
Where can I buy 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid?
You can request a quote for 4-Fluoro-3-(methoxymethyl)-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 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.