1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate
TL;DR: 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate (CAS 731802-14-5) is a chemical compound with molecular formula C13H11ClN2O4 and molecular weight 294.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate
Also Known As: dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate, 1,3-dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate
| Molecular Formula | C13H11ClN2O4 |
|---|---|
| Molecular Weight | 294.04 g/mol |
| LogP | 1.7128 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.04074 |
| Heavy Atoms | 20 |
| Complexity | 658.4688 |
Chemical Identifiers
| CAS Number | 731802-14-5 |
|---|---|
| SMILES | COC(=O)C(C1=NC2=CC=CC=C2N=C1Cl)C(=O)OC |
Product Overview
1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate (CAS 731802-14-5), with molecular formula C13H11ClN2O4 and molecular weight 294.04 g/mol. IUPAC: dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate.
Chemical Property Profile of 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate
Property Insights of 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate
The XLogP value of 1.7128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate. Following Lipinski's Rule of Five, 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate has 0 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 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate?
The CAS number of 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate is 731802-14-5.
What is the molecular formula of 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate?
The molecular formula of 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate is C13H11ClN2O4.
What is the molecular weight of 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate?
The molecular weight of 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate is 294.04 g/mol.
Where can I buy 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate?
You can request a quote for 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 2-(3-chloroquinoxalin-2-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.