4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid
TL;DR: 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid (CAS 77532-72-0) is a chemical compound with molecular formula C14H22N2O4 and molecular weight 282.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2-dimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-1-yl)-4-oxobutanoic acid
Also Known As: 4-(2,2-DIMETHYL-3-OXO-OCTAHYDRO-QUINOXALIN-1-YL)-4-OXO-BUTYRIC ACID, BB 0262751, 4-(2,2-dimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-1-yl)-4-oxobutanoic acid, (5-Methoxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetic acid, 4-(2,2-dimethyl-3-oxo-hexahydro-4H-quinoxalin-1-yl)-4-oxobutanoic acid
| Molecular Formula | C14H22N2O4 |
|---|---|
| Molecular Weight | 282.16 g/mol |
| LogP | 0.8994 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.15796 |
| Heavy Atoms | 20 |
| Complexity | 432.88983 |
Chemical Identifiers
| CAS Number | 77532-72-0 |
|---|---|
| SMILES | CC1(C(=O)NC2CCCCC2N1C(=O)CCC(=O)O)C |
Product Overview
4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid (CAS 77532-72-0), with molecular formula C14H22N2O4 and molecular weight 282.16 g/mol. IUPAC: 4-(2,2-dimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-1-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid
Property Insights of 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid
The XLogP value of 0.8994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid. Following Lipinski's Rule of Five, 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid has 2 hydrogen bond donor(s) and 3 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 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid?
The CAS number of 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid is 77532-72-0.
What is the molecular formula of 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid?
The molecular formula of 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid is C14H22N2O4.
What is the molecular weight of 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid?
The molecular weight of 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid is 282.16 g/mol.
Where can I buy 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid?
You can request a quote for 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2-Dimethyl-3-oxo-octahydro-quinoxalin-1-YL)-4-oxo-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.