1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)
TL;DR: 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (CAS 67918-90-5) is a chemical compound with molecular formula C44H60N6O12 and molecular weight 864.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2,3-dihydroxybutanedioic acid;bis(ethyl 9-[2-(diethylamino)ethyl]-2-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-3-carboxylate)
Also Known As: 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), (2R,3R)-2,3-Dihydroxybutanedioic acid--ethyl 1-[2-(diethylamino)ethyl]-5-methyl-2-oxo-2,3-dihydro-1H-pyrrolo[1,2,3-de]quinoxaline-6-carboxylate (1/2), RefChem:240745
| Molecular Formula | C44H60N6O12 |
|---|---|
| Molecular Weight | 864.43 g/mol |
| LogP | 3.50704 |
| Topological Polar Surface Area | 224.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 864.42694 |
| Heavy Atoms | 62 |
| Complexity | 2116.5437 |
Chemical Identifiers
| CAS Number | 67918-90-5 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)CN2C(=C(C3=C2C1=CC=C3)C(=O)OCC)C.CCN(CC)CCN1C(=O)CN2C(=C(C3=C2C1=CC=C3)C(=O)OCC)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (CAS 67918-90-5), with molecular formula C44H60N6O12 and molecular weight 864.43 g/mol. IUPAC: (2R,3R)-2,3-dihydroxybutanedioic acid;bis(ethyl 9-[2-(diethylamino)ethyl]-2-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-3-carboxylate).
Chemical Property Profile of 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)
Property Insights of 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)
The XLogP value of 3.50704 indicates that 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.62 Ų indicates high polarity, suggesting 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)?
The CAS number of 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) is 67918-90-5.
What is the molecular formula of 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)?
The molecular formula of 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) is C44H60N6O12.
What is the molecular weight of 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)?
The molecular weight of 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) is 864.43 g/mol.
Where can I buy 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)?
You can request a quote for 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.