Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester
TL;DR: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester (CAS 76981-90-3) is a chemical compound with molecular formula C19H28N2O3S and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethenyl 2-[(1-hydroxy-1-piperidin-1-ylethyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester, ethenyl 2-[(1-hydroxy-1-piperidin-1-ylethyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethenyl 2-{[1-hydroxy-1-(piperidin-1-yl)ethyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, BRN 5610859, RefChem:326243
| Molecular Formula | C19H28N2O3S |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 3.737 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.18207 |
| Heavy Atoms | 25 |
| Complexity | 647.33954 |
Chemical Identifiers
| CAS Number | 76981-90-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC=C)NC(C)(N3CCCCC3)O |
Product Overview
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester (CAS 76981-90-3), with molecular formula C19H28N2O3S and molecular weight 364.18 g/mol. IUPAC: ethenyl 2-[(1-hydroxy-1-piperidin-1-ylethyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester
Property Insights of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester
The XLogP value of 3.737 indicates that Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester has 2 hydrogen bond donor(s) and 6 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 Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester?
The CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester is 76981-90-3.
What is the molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester?
The molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester is C19H28N2O3S.
What is the molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester?
The molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester is 364.18 g/mol.
Where can I buy Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester?
You can request a quote for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-piperidinylacetyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.