![2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid structure](/static/products/903/903585-17-1.png)
2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid
TL;DR: 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid (CAS 903585-17-1) is a chemical compound with molecular formula C13H16N2O5S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid, 2-({[(2-hydroxyethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-(2-((2-hydroxyethyl)amino)-2-oxoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
| Molecular Formula | C13H16N2O5S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 0.3721 |
| Topological Polar Surface Area | 115.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.078 |
| Heavy Atoms | 21 |
| Complexity | 581.3619 |
Chemical Identifiers
| CAS Number | 903585-17-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCCO)C(=O)O |
Product Overview
2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid (CAS 903585-17-1), with molecular formula C13H16N2O5S and molecular weight 312.08 g/mol. IUPAC: 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid
Property Insights of 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid
The XLogP value of 0.3721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid. The TPSA of 115.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid. Following Lipinski's Rule of Five, 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid has 4 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-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid?
The CAS number of 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid is 903585-17-1.
What is the molecular formula of 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid?
The molecular formula of 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid is C13H16N2O5S.
What is the molecular weight of 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid?
The molecular weight of 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid is 312.08 g/mol.
Where can I buy 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid?
You can request a quote for 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-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-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-hydroxyethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.