acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/905/905014-52-0.png)
methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 905014-52-0) is a chemical compound with molecular formula C13H17N3O4S and molecular weight 311.09 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]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(2-((2-aminoethyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[2-(2-aminoethylamino)-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, Methyl 3-[(2-aminoethylcarbamoylformyl)amino]-4-thiabicyclo[3.3.0]octa-2,9-diene-2-carboxylate
| Molecular Formula | C13H17N3O4S |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 0.0368 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.09396 |
| Heavy Atoms | 21 |
| Complexity | 582.2167 |
Chemical Identifiers
| CAS Number | 905014-52-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C(=O)NCCN |
Product Overview
methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 905014-52-0), with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol. IUPAC: methyl 2-[[2-(2-aminoethylamino)-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 0.0368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 905014-52-0.
What is the molecular formula of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C13H17N3O4S.
What is the molecular weight of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 311.09 g/mol.
Where can I buy methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.