methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 352679-44-8) is a chemical compound with molecular formula C20H29NO4S and molecular weight 379.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-(2-methylbutan-2-yl)-2-[(tetrahydrofuran-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-tert-pentyl-2-[(tetrahydro-2-furanylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-(tert-pentyl)-2-(tetrahydrofuran-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 6-(TERT-PENTYL)-2-[(TETRAHYDRO-2-FURANYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C20H29NO4S |
|---|---|
| Molecular Weight | 379.18 g/mol |
| LogP | 4.1933 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.18173 |
| Heavy Atoms | 26 |
| Complexity | 688.22845 |
Chemical Identifiers
| CAS Number | 352679-44-8 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCO3 |
Product Overview
methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 352679-44-8), with molecular formula C20H29NO4S and molecular weight 379.18 g/mol. IUPAC: methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.1933 indicates that methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 352679-44-8.
What is the molecular formula of methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C20H29NO4S.
What is the molecular weight of methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 379.18 g/mol.
Where can I buy methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-(2-methylbutan-2-yl)-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.