3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide
TL;DR: 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide (CAS 77147-77-4) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)-3,3-dimethylbutanoic acid
Also Known As: ZERO/005290, 3-(3-carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide, 4-(6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)-3,3-dimethylbutanoic acid, 3-(3-carboxy-2,2-dimethylpropyl)-7-methoxyquinoxalin-1-ium-1-olate, 4-(6-methoxy-4-oxidoquinoxalin-2-yl)-3,3-dimethylbutanoic acid
| Molecular Formula | C15H18N2O4 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.12665 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 77147-77-4 |
|---|---|
| SMILES | CC(C)(CC1=C[N+](=C2C=C(C=CC2=N1)OC)[O-])CC(=O)O |
| InChIKey | FCAOOSMLUZTAOT-UHFFFAOYSA-N |
Product Overview
3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide (CAS 77147-77-4), with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol. IUPAC: 4-(6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)-3,3-dimethylbutanoic acid.
Chemical Property Profile of 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide
Property Insights of 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide. Following Lipinski's Rule of Five, 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide has 1 hydrogen bond donor(s) and 5 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 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide?
The CAS number of 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide is 77147-77-4.
What is the molecular formula of 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide?
The molecular formula of 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide is C15H18N2O4.
What is the molecular weight of 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide?
The molecular weight of 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide is 290.13 g/mol.
Where can I buy 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide?
You can request a quote for 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Carboxy-2,2-dimethylpropyl)-7-methoxyquinoxaline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.