![Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate structure](/static/products/1121/112101-60-7.webp)
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 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C10H10O3S |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 1.6662 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.03506 |
| Heavy Atoms | 14 |
| Complexity | 380.47375 |
Chemical Identifiers
| CAS Number | 112101-60-7 |
|---|---|
| SMILES | COC(=O)C1CCC2=C(C1=O)C=CS2 |
Product Overview
Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate (CAS 112101-60-7), with molecular formula C10H10O3S and molecular weight 210.04 g/mol. IUPAC: methyl 4-oxo-6,7-dihydro-5H-1-benzothiophene-5-carboxylate.
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 1.6662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 210.04 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate?
Yes, KEHONG BIO 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.