Methyl 3-methoxy-1-benzothiophene-2-carboxylate
TL;DR: Methyl 3-methoxy-1-benzothiophene-2-carboxylate (CAS 19354-51-9) is a chemical compound with molecular formula C11H10O3S and molecular weight 222.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-methoxy-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-methoxy-1-benzothiophene-2-carboxylate, methyl 3-methoxybenzo[b]thiophene-2-carboxylate, Methyl 3-methoxybenzo(b)thiophene-3-carboxylate, methyl 3-methoxybenzo[b]-thiophene-2-carboxylate, 3-Methoxybenzo[b]thiophene-2-carboxylic acid methyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H10O3S |
| Molecular Weight | 222.03506 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 63.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.03506 Da |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
| SMILES | COC1=C(SC2=CC=CC=C21)C(=O)OC |
| InChIKey | KQZSFMXMFTZNSV-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-methoxy-1-benzothiophene-2-carboxylate
Property Insights of Methyl 3-methoxy-1-benzothiophene-2-carboxylate
The XLogP value of 3.1 indicates that Methyl 3-methoxy-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-methoxy-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-methoxy-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-methoxy-1-benzothiophene-2-carboxylate?
The CAS number of Methyl 3-methoxy-1-benzothiophene-2-carboxylate is 19354-51-9.
What is the molecular formula of Methyl 3-methoxy-1-benzothiophene-2-carboxylate?
The molecular formula of Methyl 3-methoxy-1-benzothiophene-2-carboxylate is C11H10O3S.
What is the molecular weight of Methyl 3-methoxy-1-benzothiophene-2-carboxylate?
The molecular weight of Methyl 3-methoxy-1-benzothiophene-2-carboxylate is 222.03506 g/mol.
Where can I buy Methyl 3-methoxy-1-benzothiophene-2-carboxylate?
You can request a quote for Methyl 3-methoxy-1-benzothiophene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-methoxy-1-benzothiophene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-methoxy-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.