![ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate structure](/static/products/100/1009689-75-1.png)
ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate
TL;DR: ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate (CAS 1009689-75-1) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-5-carbonyl)amino]benzoate
Also Known As: ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate, ethyl 4-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-5-carbonyl)amino]benzoate, ethyl 4-{[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)carbonyl]amino}benzoate
| Molecular Formula | C22H24N2O6 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 2.7683 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.16342 |
| Heavy Atoms | 30 |
| Complexity | 972.5833 |
Chemical Identifiers
| CAS Number | 1009689-75-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3=C(C4=C(C=C3CCN2C)OCO4)OC |
Product Overview
ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate (CAS 1009689-75-1), with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol. IUPAC: ethyl 4-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-5-carbonyl)amino]benzoate.
Chemical Property Profile of ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate
Property Insights of ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate
The XLogP value of 2.7683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate has 1 hydrogen bond donor(s) and 7 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-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate?
The CAS number of ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate is 1009689-75-1.
What is the molecular formula of ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate?
The molecular formula of ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate is C22H24N2O6.
What is the molecular weight of ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate?
The molecular weight of ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate is 412.16 g/mol.
Where can I buy ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate?
You can request a quote for ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.