![7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione structure](/static/products/879/879451-40-8.png)
7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
TL;DR: 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CAS 879451-40-8) is a chemical compound with molecular formula C27H31ClN4O5 and molecular weight 526.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 7-chloro-1'-(3,4-dimethoxyphenethyl)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 7-chloro-3'-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-6'-hydroxy-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
| Molecular Formula | C27H31ClN4O5 |
|---|---|
| Molecular Weight | 526.20 g/mol |
| LogP | 2.7313 |
| Topological Polar Surface Area | 91.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.1983 |
| Heavy Atoms | 37 |
| Complexity | 1253.2975 |
Chemical Identifiers
| CAS Number | 879451-40-8 |
|---|---|
| SMILES | CCN1CCN2C(C1)C3(CC4=C2C=CC=C4Cl)C(=O)NC(=O)N(C3=O)CCC5=CC(=C(C=C5)OC)OC |
Product Overview
7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CAS 879451-40-8), with molecular formula C27H31ClN4O5 and molecular weight 526.20 g/mol. IUPAC: 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Property Insights of 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
The XLogP value of 2.7313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione. The TPSA of 91.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione. Following Lipinski's Rule of Five, 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The CAS number of 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is 879451-40-8.
What is the molecular formula of 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The molecular formula of 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is C27H31ClN4O5.
What is the molecular weight of 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The molecular weight of 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is 526.20 g/mol.
Where can I buy 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
You can request a quote for 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 7'-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.