N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide
TL;DR: N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide (CAS 846590-33-8) is a chemical compound with molecular formula C21H20Cl2N6O4 and molecular weight 490.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]ethyl]furan-2-carboxamide
Also Known As: N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide, N-(2-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]amino}ethyl)furan-2-carboxamide, N-[2-[[7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]ethyl]furan-2-carboxamide
| Molecular Formula | C21H20Cl2N6O4 |
|---|---|
| Molecular Weight | 490.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.09232 |
| Heavy Atoms | 33 |
| Complexity | 760.0 |
Chemical Identifiers
| CAS Number | 846590-33-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCNC(=O)C3=CC=CO3)CC4=C(C=C(C=C4)Cl)Cl |
| InChIKey | PWMAWBPGXQJBRC-UHFFFAOYSA-N |
Product Overview
N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide (CAS 846590-33-8), with molecular formula C21H20Cl2N6O4 and molecular weight 490.09 g/mol. IUPAC: N-[2-[[7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]ethyl]furan-2-carboxamide.
Chemical Property Profile of N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide
Property Insights of N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide
The XLogP value of 3.1 indicates that N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide. Following Lipinski's Rule of Five, N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide has 2 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 N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide?
The CAS number of N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide is 846590-33-8.
What is the molecular formula of N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide?
The molecular formula of N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide is C21H20Cl2N6O4.
What is the molecular weight of N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide?
The molecular weight of N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide is 490.09 g/mol.
Where can I buy N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide?
You can request a quote for N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.