Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester
TL;DR: Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester (CAS 52239-76-6) is a chemical compound with molecular formula C22H28N2O6 and molecular weight 416.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethoxycarbonyl]-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
Also Known As: Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester, 2-{[2-(diethylamino)ethoxy]carbonyl}-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 2-(2-diethylaminoethyloxycarbonyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 2-[2-(diethylamino)ethoxycarbonyl]-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid, Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid,5,6-dihydro-7,8-dimethoxy-,2-(2-(diethylamino)ethyl) ester
| Molecular Formula | C22H28N2O6 |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 416.19473 |
| Heavy Atoms | 30 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 52239-76-6 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(N2CCC3=CC(=C(C=C3C2=C1)OC)OC)C(=O)O |
| InChIKey | ZPONUDBMSOXLFI-UHFFFAOYSA-N |
Product Overview
Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester (CAS 52239-76-6), with molecular formula C22H28N2O6 and molecular weight 416.19 g/mol. IUPAC: 2-[2-(diethylamino)ethoxycarbonyl]-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid.
Chemical Property Profile of Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester
Property Insights of Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester. Following Lipinski's Rule of Five, Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester 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 Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester?
The CAS number of Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester is 52239-76-6.
What is the molecular formula of Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester?
The molecular formula of Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester is C22H28N2O6.
What is the molecular weight of Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester?
The molecular weight of Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester is 416.19 g/mol.
Where can I buy Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester?
You can request a quote for Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.