Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
TL;DR: Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate (CAS 91489-09-7) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Also Known As: methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate, methyl 4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate, METHYL4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBOXYLATE, 2-(Methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophene, 4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid methyl ester
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.4135 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 304.16577 |
Chemical Identifiers
| CAS Number | 91489-09-7 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(S1)CCCC2 |
Product Overview
Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate (CAS 91489-09-7), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Property Insights of Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
The XLogP value of 2.4135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The CAS number of Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is 91489-09-7.
What is the molecular formula of Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The molecular formula of Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is C10H12O2S.
What is the molecular weight of Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The molecular weight of Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is 196.06 g/mol.
Where can I buy Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
You can request a quote for Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.