4,5-Dichloro-3-thiophenecarboxylic acid
TL;DR: 4,5-Dichloro-3-thiophenecarboxylic acid (CAS 123418-70-2) is a chemical compound with molecular formula C5H2Cl2O2S and molecular weight 195.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichlorothiophene-3-carboxylic acid
Also Known As: 4,5-dichlorothiophene-3-carboxylic Acid, 7-Hexadecanone, Apixaban Impurity 109, 3-Thiophenecarboxylic acid, 4,5-dichloro-, 4,5-dichloro-3-thiophenecarboxylic acid
| Molecular Formula | C5H2Cl2O2S |
|---|---|
| Molecular Weight | 195.92 g/mol |
| LogP | 2.7531 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.91525 |
| Heavy Atoms | 10 |
| Complexity | 268.6117 |
Chemical Identifiers
| CAS Number | 123418-70-2 |
|---|---|
| SMILES | C1=C(C(=C(S1)Cl)Cl)C(=O)O |
Product Overview
4,5-Dichloro-3-thiophenecarboxylic acid (CAS 123418-70-2), with molecular formula C5H2Cl2O2S and molecular weight 195.92 g/mol. IUPAC: 4,5-dichlorothiophene-3-carboxylic acid.
Chemical Property Profile of 4,5-Dichloro-3-thiophenecarboxylic acid
Property Insights of 4,5-Dichloro-3-thiophenecarboxylic acid
The XLogP value of 2.7531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dichloro-3-thiophenecarboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4,5-Dichloro-3-thiophenecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloro-3-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 4,5-Dichloro-3-thiophenecarboxylic acid?
The CAS number of 4,5-Dichloro-3-thiophenecarboxylic acid is 123418-70-2.
What is the molecular formula of 4,5-Dichloro-3-thiophenecarboxylic acid?
The molecular formula of 4,5-Dichloro-3-thiophenecarboxylic acid is C5H2Cl2O2S.
What is the molecular weight of 4,5-Dichloro-3-thiophenecarboxylic acid?
The molecular weight of 4,5-Dichloro-3-thiophenecarboxylic acid is 195.92 g/mol.
Where can I buy 4,5-Dichloro-3-thiophenecarboxylic acid?
You can request a quote for 4,5-Dichloro-3-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-3-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-3-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.