methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate
TL;DR: methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate (CAS 1042741-94-5) is a chemical compound with molecular formula C24H26N2O6 and molecular weight 438.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)-1-oxopropan-2-yl]carbamoyl]benzoate
Also Known As: methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate, methyl 2-[[1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)-1-oxopropan-2-yl]carbamoyl]benzoate, methyl 2-{[1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]carbamoyl}benzoate
| Molecular Formula | C24H26N2O6 |
|---|---|
| Molecular Weight | 438.18 g/mol |
| LogP | 2.6643 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.17908 |
| Heavy Atoms | 32 |
| Complexity | 1078.1543 |
Chemical Identifiers
| CAS Number | 1042741-94-5 |
|---|---|
| SMILES | CC(C(=O)N1CCC2=CC(=C(C=C2C1=C)OC)OC)NC(=O)C3=CC=CC=C3C(=O)OC |
Product Overview
methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate (CAS 1042741-94-5), with molecular formula C24H26N2O6 and molecular weight 438.18 g/mol. IUPAC: methyl 2-[[1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)-1-oxopropan-2-yl]carbamoyl]benzoate.
Chemical Property Profile of methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate
Property Insights of methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate
The XLogP value of 2.6643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate. Following Lipinski's Rule of Five, methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate has 1 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-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate?
The CAS number of methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate is 1042741-94-5.
What is the molecular formula of methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate?
The molecular formula of methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate is C24H26N2O6.
What is the molecular weight of methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate?
The molecular weight of methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate is 438.18 g/mol.
Where can I buy methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate?
You can request a quote for methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.