acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/903/903589-08-2.png)
methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 903589-08-2) is a chemical compound with molecular formula C14H19N3O4S and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(2-aminoethylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-((2-aminoethyl)amino)-2-oxoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Methyl 2-[(2-aminoethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, methyl 2-[[2-(2-aminoethylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C14H19N3O4S |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | 0.4269 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.10962 |
| Heavy Atoms | 22 |
| Complexity | 597.15356 |
Chemical Identifiers
| CAS Number | 903589-08-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCCN |
Product Overview
methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 903589-08-2), with molecular formula C14H19N3O4S and molecular weight 325.11 g/mol. IUPAC: methyl 2-[[2-(2-aminoethylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 0.4269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. The TPSA of 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 3 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 methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 903589-08-2.
What is the molecular formula of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C14H19N3O4S.
What is the molecular weight of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 325.11 g/mol.
Where can I buy methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-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 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.