Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester
TL;DR: Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester (CAS 88075-43-8) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxo-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene)acetate
Also Known As: ChemDiv3_006387, Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester, (3-Oxooctahydroquinoxalin-2(1H)-ylidene)methyl acetate, Methyl (3-oxooctahydroquinoxalin-2(1H)-ylidene)acetate, methyl [3-oxooctahydroquinoxalin-2(1h)-ylidene]ethanoate
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 0.0739 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 338.12137 |
Chemical Identifiers
| CAS Number | 88075-43-8 |
|---|---|
| SMILES | COC(=O)C=C1C(=O)NC2CCCCC2N1 |
Product Overview
Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester (CAS 88075-43-8), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: methyl 2-(3-oxo-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene)acetate.
Chemical Property Profile of Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester
Property Insights of Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester
The XLogP value of 0.0739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester has 2 hydrogen bond donor(s) and 4 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 Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester?
The CAS number of Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester is 88075-43-8.
What is the molecular formula of Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester?
The molecular formula of Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester is C11H16N2O3.
What is the molecular weight of Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester?
The molecular weight of Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester is 224.12 g/mol.
Where can I buy Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester?
You can request a quote for Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.