![3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione structure](/static/products/893/893977-05-4.png)
3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
TL;DR: 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione (CAS 893977-05-4) is a chemical compound with molecular formula C23H22ClN5O4 and molecular weight 467.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)methyl]-6-(2,4-dimethoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione, 2-[(3-chlorophenyl)methyl]-6-(2,4-dimethoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C23H22ClN5O4 |
|---|---|
| Molecular Weight | 467.14 g/mol |
| LogP | 2.7673 |
| Topological Polar Surface Area | 83.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.13602 |
| Heavy Atoms | 33 |
| Complexity | 1503.4922 |
Chemical Identifiers
| CAS Number | 893977-05-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)Cl)N4CCN(C4=N2)C5=C(C=C(C=C5)OC)OC |
Product Overview
3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione (CAS 893977-05-4), with molecular formula C23H22ClN5O4 and molecular weight 467.14 g/mol. IUPAC: 2-[(3-chlorophenyl)methyl]-6-(2,4-dimethoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Property Insights of 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
The XLogP value of 2.7673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione. The TPSA of 83.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione. Following Lipinski's Rule of Five, 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione 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 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione?
The CAS number of 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione is 893977-05-4.
What is the molecular formula of 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione?
The molecular formula of 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione is C23H22ClN5O4.
What is the molecular weight of 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione?
The molecular weight of 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione is 467.14 g/mol.
Where can I buy 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione?
You can request a quote for 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.