3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid
TL;DR: 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid (CAS 34576-89-1) is a chemical compound with molecular formula C10H6Cl2O3S and molecular weight 275.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid
Also Known As: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid, Hexaphenylcyclotrisiloxane, 3,7-Dichloro-6-methoxy-benzo[b]thiophene-2-carboxylic acid, 3,7-dichloro-6-methoxybenzo[b]thiophene-2-carboxylic acid, 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid
| Molecular Formula | C10H6Cl2O3S |
|---|---|
| Molecular Weight | 275.94 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.94147 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 34576-89-1 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=C(S2)C(=O)O)Cl)Cl |
| InChIKey | VSTRNRLKTOVPGN-UHFFFAOYSA-N |
Product Overview
3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid (CAS 34576-89-1), with molecular formula C10H6Cl2O3S and molecular weight 275.94 g/mol. IUPAC: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid
Property Insights of 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid
The XLogP value of 4.0 indicates that 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid?
The CAS number of 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid is 34576-89-1.
What is the molecular formula of 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid?
The molecular formula of 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid is C10H6Cl2O3S.
What is the molecular weight of 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid?
The molecular weight of 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid is 275.94 g/mol.
Where can I buy 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid?
You can request a quote for 3,7-Dichloro-6-methoxy-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 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.