![ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate structure](/static/products/5602/5602-10-8.webp)
ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
TL;DR: ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate (CAS 5602-10-8) is a chemical compound with molecular formula C23H29N3O6S and molecular weight 475.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
Also Known As: ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate, Ethyl 2-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
| Molecular Formula | C23H29N3O6S |
|---|---|
| Molecular Weight | 475.18 g/mol |
| LogP | 2.60682 |
| Topological Polar Surface Area | 106.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.1777 |
| Heavy Atoms | 33 |
| Complexity | 1064.9515 |
Chemical Identifiers
| CAS Number | 5602-10-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2CCC3=CC(=C(C=C3C2)OC)OC |
Product Overview
ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate (CAS 5602-10-8), with molecular formula C23H29N3O6S and molecular weight 475.18 g/mol. IUPAC: ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
Property Insights of ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
The XLogP value of 2.60682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate. The TPSA of 106.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 8 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 ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?
The CAS number of ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate is 5602-10-8.
What is the molecular formula of ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?
The molecular formula of ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate is C23H29N3O6S.
What is the molecular weight of ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?
The molecular weight of ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate is 475.18 g/mol.
Where can I buy ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?
You can request a quote for ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)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 ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.