![ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/862/862117-89-3.png)
ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 862117-89-3) is a chemical compound with molecular formula C29H30N4O3S2 and molecular weight 546.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((4-cyano-3-propylbenzo[4,5]imidazo[1,2-a]pyridin-1-yl)thio)acetamido)-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[2-(4-cyano-3-propyl(10-hydropyridino[1,6-a]benzimidazolylthio))acetyl amino]-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C29H30N4O3S2 |
|---|---|
| Molecular Weight | 546.18 g/mol |
| LogP | 6.40548 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.1759 |
| Heavy Atoms | 38 |
| Complexity | 1580.4668 |
Chemical Identifiers
| CAS Number | 862117-89-3 |
|---|---|
| SMILES | CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=C(C5=C(S4)CCC(C5)C)C(=O)OCC)C#N |
Product Overview
ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 862117-89-3), with molecular formula C29H30N4O3S2 and molecular weight 546.18 g/mol. IUPAC: ethyl 2-[[2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.40548 indicates that ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 862117-89-3.
What is the molecular formula of ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C29H30N4O3S2.
What is the molecular weight of ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 546.18 g/mol.
Where can I buy ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-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 ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.