![8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione structure](/static/products/844/844648-85-7.png)
8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
TL;DR: 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 844648-85-7) is a chemical compound with molecular formula C23H20ClN5O3 and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-7-(3-chloro-4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-benzyl-7-(3-chloro-4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C23H20ClN5O3 |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 3.0637 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.12546 |
| Heavy Atoms | 32 |
| Complexity | 1608.7609 |
Chemical Identifiers
| CAS Number | 844648-85-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4)C5=CC(=C(C=C5)OC)Cl |
Product Overview
8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 844648-85-7), with molecular formula C23H20ClN5O3 and molecular weight 449.13 g/mol. IUPAC: 6-benzyl-7-(3-chloro-4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Property Insights of 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
The XLogP value of 3.0637 indicates that 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-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 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione. Following Lipinski's Rule of Five, 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-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-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The CAS number of 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 844648-85-7.
What is the molecular formula of 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular formula of 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is C23H20ClN5O3.
What is the molecular weight of 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular weight of 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 449.13 g/mol.
Where can I buy 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
You can request a quote for 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-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-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-benzyl-7-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-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.