3,4-Dichloro-1-benzothiophene-2-carboxylic acid
TL;DR: 3,4-Dichloro-1-benzothiophene-2-carboxylic acid (CAS 34576-95-9) is a chemical compound with molecular formula C9H4Cl2O2S and molecular weight 245.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-1-benzothiophene-2-carboxylic acid
Also Known As: 3,4-dichloro-1-benzothiophene-2-carboxylic acid, 3,4-dichlorobenzo[b]thiophene-2-carboxylic acid, BAS 01213366, 3,4-Dichloro-benzo[b]thiophene-2-carboxylic acid, 3,4-Dichlorbenzothiophen-2-carbonsaeure
| Molecular Formula | C9H4Cl2O2S |
|---|---|
| Molecular Weight | 245.93 g/mol |
| LogP | 3.9063 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.93091 |
| Heavy Atoms | 14 |
| Complexity | 518.75146 |
Chemical Identifiers
| CAS Number | 34576-95-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)C(=C(S2)C(=O)O)Cl |
Product Overview
3,4-Dichloro-1-benzothiophene-2-carboxylic acid (CAS 34576-95-9), with molecular formula C9H4Cl2O2S and molecular weight 245.93 g/mol. IUPAC: 3,4-dichloro-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 3,4-Dichloro-1-benzothiophene-2-carboxylic acid
Property Insights of 3,4-Dichloro-1-benzothiophene-2-carboxylic acid
The XLogP value of 3.9063 indicates that 3,4-Dichloro-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-Dichloro-1-benzothiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichloro-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-Dichloro-1-benzothiophene-2-carboxylic acid?
The CAS number of 3,4-Dichloro-1-benzothiophene-2-carboxylic acid is 34576-95-9.
What is the molecular formula of 3,4-Dichloro-1-benzothiophene-2-carboxylic acid?
The molecular formula of 3,4-Dichloro-1-benzothiophene-2-carboxylic acid is C9H4Cl2O2S.
What is the molecular weight of 3,4-Dichloro-1-benzothiophene-2-carboxylic acid?
The molecular weight of 3,4-Dichloro-1-benzothiophene-2-carboxylic acid is 245.93 g/mol.
Where can I buy 3,4-Dichloro-1-benzothiophene-2-carboxylic acid?
You can request a quote for 3,4-Dichloro-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-Dichloro-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichloro-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.