(2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
TL;DR: (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate (CAS 831249-87-7) is a chemical compound with molecular formula C18H14ClN3O5 and molecular weight 387.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
Also Known As: (2-CHLORO-4-NITROPHENYL)METHYL 3-(3-HYDROXYQUINOXALIN-2-YL)PROPANOATE, 2-CHLORO-4-NITROBENZYL 3-(3-HYDROXY-2-QUINOXALINYL)PROPANOATE, (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate, 2-Chloro-4-nitrobenzyl 3-(3-hydroxyquinoxalin-2-yl)propanoate
| Molecular Formula | C18H14ClN3O5 |
|---|---|
| Molecular Weight | 387.06 g/mol |
| LogP | 3.1607 |
| Topological Polar Surface Area | 115.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.0622 |
| Heavy Atoms | 27 |
| Complexity | 1080.0253 |
Chemical Identifiers
| CAS Number | 831249-87-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C(=N2)CCC(=O)OCC3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
(2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate (CAS 831249-87-7), with molecular formula C18H14ClN3O5 and molecular weight 387.06 g/mol. IUPAC: (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate.
Chemical Property Profile of (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
Property Insights of (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
The XLogP value of 3.1607 indicates that (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate. Following Lipinski's Rule of Five, (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate has 1 hydrogen bond donor(s) and 6 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 (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The CAS number of (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate is 831249-87-7.
What is the molecular formula of (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The molecular formula of (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate is C18H14ClN3O5.
What is the molecular weight of (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The molecular weight of (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate is 387.06 g/mol.
Where can I buy (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
You can request a quote for (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-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 (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.