Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
TL;DR: Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate (CAS 21580-64-3) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
Also Known As: methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate, methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate, BAS 03013475, VU0002291-1, VU0507945-1
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.0287 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 603.9674 |
Chemical Identifiers
| CAS Number | 21580-64-3 |
|---|---|
| SMILES | COC(=O)CCC1=NC2=CC=CC=C2NC1=O |
Product Overview
Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate (CAS 21580-64-3), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate.
Chemical Property Profile of Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
Property Insights of Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
The XLogP value of 1.0287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate has 1 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 Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate?
The CAS number of Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate is 21580-64-3.
What is the molecular formula of Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate?
The molecular formula of Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate is C12H12N2O3.
What is the molecular weight of Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate?
The molecular weight of Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate is 232.08 g/mol.
Where can I buy Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate?
You can request a quote for Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.