Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
TL;DR: Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate (CAS 179686-30-7) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
Also Known As: Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate, benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate, benzyl 3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxylate, Benzyl3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate, 3-oxo-2,4-dihydroquinoxaline-1-carboxylic acid (phenylmethyl) ester
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 2.7819 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.10043 |
| Heavy Atoms | 21 |
| Complexity | 670.2321 |
Chemical Identifiers
| CAS Number | 179686-30-7 |
|---|---|
| SMILES | C1C(=O)NC2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate (CAS 179686-30-7), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate.
Chemical Property Profile of Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
Property Insights of Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
The XLogP value of 2.7819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate. With a topological polar surface area (TPSA) of 58.64 Ų, Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate has 1 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 Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate?
The CAS number of Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate is 179686-30-7.
What is the molecular formula of Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate?
The molecular formula of Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate is C16H14N2O3.
What is the molecular weight of Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate?
The molecular weight of Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate is 282.10 g/mol.
Where can I buy Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate?
You can request a quote for Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.