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Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
TL;DR: Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate (CAS 112101-60-7) is a chemical compound with molecular formula C10H10O3S and molecular weight 210.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-oxo-6,7-dihydro-5H-1-benzothiophene-5-carboxylate
Also Known As: Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate, methyl 4-oxo-6,7-dihydro-5H-1-benzothiophene-5-carboxylate, Methyl 4-oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate, methyl 4-oxo-6,7-dihydro-5H-benzothiophene-5-carboxylate, methyl 4-oxo4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate
Technical Specifications
| Molecular Formula | C10H10O3S |
| Molecular Weight | 210.03506 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.03506 Da |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
| SMILES | COC(=O)C1CCC2=C(C1=O)C=CS2 |
| InChIKey | IRXRNQUMRJNRMZ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
Property Insights of Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate. Following Lipinski's Rule of Five, Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-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 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate?
The CAS number of Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate is 112101-60-7.
What is the molecular formula of Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate?
The molecular formula of Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate is C10H10O3S.
What is the molecular weight of Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate?
The molecular weight of Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate is 210.03506 g/mol.
Where can I buy Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate?
You can request a quote for Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.