![8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione structure](/static/products/846/846597-34-0.png)
8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
TL;DR: 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 846597-34-0) is a chemical compound with molecular formula C20H16ClN5O2S and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chlorophenyl)methyl]-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione
Also Known As: 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-[(2-chlorophenyl)methyl]-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C20H16ClN5O2S |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 3.1166 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.07132 |
| Heavy Atoms | 29 |
| Complexity | 1504.2281 |
Chemical Identifiers
| CAS Number | 846597-34-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4Cl)C5=CC=CS5 |
Product Overview
8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 846597-34-0), with molecular formula C20H16ClN5O2S and molecular weight 425.07 g/mol. IUPAC: 6-[(2-chlorophenyl)methyl]-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Property Insights of 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
The XLogP value of 3.1166 indicates that 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione. Following Lipinski's Rule of Five, 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione has 0 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 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The CAS number of 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 846597-34-0.
What is the molecular formula of 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular formula of 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is C20H16ClN5O2S.
What is the molecular weight of 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular weight of 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 425.07 g/mol.
Where can I buy 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
You can request a quote for 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-chlorobenzyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.