Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester
TL;DR: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester (CAS 76981-92-5) is a chemical compound with molecular formula C18H26N2O4S and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester, ethyl 5-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, N-[3-(Ethoxycarbonyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl](morpholin-4-yl)ethanimidic acid, N-[3-(Ethoxycarbonyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(morpholin-4-yl)ethanimidic acid, BRN 5619288
| Molecular Formula | C18H26N2O4S |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 2.3203 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.16132 |
| Heavy Atoms | 25 |
| Complexity | 637.26575 |
Chemical Identifiers
| CAS Number | 76981-92-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)CN3CCOCC3 |
Product Overview
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester (CAS 76981-92-5), with molecular formula C18H26N2O4S and molecular weight 366.16 g/mol. IUPAC: ethyl 5-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester
Property Insights of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester
The XLogP value of 2.3203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester has 1 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-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester?
The CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester is 76981-92-5.
What is the molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester?
The molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester is C18H26N2O4S.
What is the molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester?
The molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester is 366.16 g/mol.
Where can I buy Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester?
You can request a quote for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)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-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.