acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid structure](/static/products/905/905014-44-0.png)
2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
TL;DR: 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 905014-44-0) is a chemical compound with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[2-hydroxyethyl(methyl)amino]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-(2-((2-hydroxyethyl)(methyl)amino)-2-oxoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, 2-[[2-[2-hydroxyethyl(methyl)amino]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
| Molecular Formula | C14H18N2O5S |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 0.7143 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.09363 |
| Heavy Atoms | 22 |
| Complexity | 610.6195 |
Chemical Identifiers
| CAS Number | 905014-44-0 |
|---|---|
| SMILES | CN(CCO)C(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O |
Product Overview
2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 905014-44-0), with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol. IUPAC: 2-[[2-[2-hydroxyethyl(methyl)amino]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Property Insights of 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
The XLogP value of 0.7143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid has 3 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 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The CAS number of 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 905014-44-0.
What is the molecular formula of 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular formula of 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is C14H18N2O5S.
What is the molecular weight of 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular weight of 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 326.09 g/mol.
Where can I buy 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
You can request a quote for 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(2-hydroxyethyl)(methyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.