ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate
TL;DR: ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate (CAS 685844-00-2) is a chemical compound with molecular formula C25H29N3O5 and molecular weight 451.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate
Also Known As: ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate, ethyl 4-{[3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]carbonyl}piperazine-1-carboxylate, ETHYL 4-[3-(4-METHOXYPHENYL)-2-METHYL-1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBONYL]PIPERAZINE-1-CARBOXYLATE, ethyl 4-[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate
| Molecular Formula | C25H29N3O5 |
|---|---|
| Molecular Weight | 451.21 g/mol |
| LogP | 2.9064 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.21072 |
| Heavy Atoms | 33 |
| Complexity | 1030.5928 |
Chemical Identifiers
| CAS Number | 685844-00-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC |
Product Overview
ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate (CAS 685844-00-2), with molecular formula C25H29N3O5 and molecular weight 451.21 g/mol. IUPAC: ethyl 4-[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate
Property Insights of ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate
The XLogP value of 2.9064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate has 0 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 ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate is 685844-00-2.
What is the molecular formula of ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate is C25H29N3O5.
What is the molecular weight of ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate is 451.21 g/mol.
Where can I buy ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.