Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate
TL;DR: Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate (CAS 1022235-97-7) is a chemical compound with molecular formula C14H10O2S2 and molecular weight 274.0122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate
Also Known As: J3.253.230F, Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate, methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate, Methyl 5-benzothiophen-2-ylthiophene-2-carboxylate, 4 ,5 -[1,3]Butadieno-2,2 -bithiophene-5-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C14H10O2S2 |
| Molecular Weight | 274.0122 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0122 Da |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
| SMILES | COC(=O)C1=CC=C(S1)C2=CC3=CC=CC=C3S2 |
| InChIKey | MNVYIGYJSVEFQW-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate
Property Insights of Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate
The XLogP value of 4.5 indicates that Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate 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 5-(1-benzothien-2-yl)-2-thiophenecarboxylate?
The CAS number of Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate is 1022235-97-7.
What is the molecular formula of Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate?
The molecular formula of Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate is C14H10O2S2.
What is the molecular weight of Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate?
The molecular weight of Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate is 274.0122 g/mol.
Where can I buy Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate?
You can request a quote for Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-(1-benzothien-2-yl)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.