2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide
TL;DR: 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide (CAS 380158-87-2) is a chemical compound with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
Also Known As: 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide, VU0604859-1, F3225-4830, 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide, 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetamide
| Molecular Formula | C25H27N5O3 |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 3.21328 |
| Topological Polar Surface Area | 100.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.2114 |
| Heavy Atoms | 33 |
| Complexity | 1184.3662 |
Chemical Identifiers
| CAS Number | 380158-87-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCC4)OC |
Product Overview
2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide (CAS 380158-87-2), with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol. IUPAC: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.
Chemical Property Profile of 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide
Property Insights of 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide
The XLogP value of 3.21328 indicates that 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide. Following Lipinski's Rule of Five, 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide has 1 hydrogen bond donor(s) and 7 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-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide?
The CAS number of 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide is 380158-87-2.
What is the molecular formula of 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide?
The molecular formula of 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide is C25H27N5O3.
What is the molecular weight of 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide?
The molecular weight of 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide is 445.21 g/mol.
Where can I buy 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide?
You can request a quote for 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(3,4-dimethoxyphenethyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.