1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 317844-58-9) is a chemical compound with molecular formula C22H21ClN4O3 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-benzyl-8-(4-chloro-3,5-dimethyl-phenoxy)-3,7-dimethyl-purine-2,6-dione, 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione, 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H21ClN4O3 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 3.54454 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.13022 |
| Heavy Atoms | 30 |
| Complexity | 1360.758 |
Chemical Identifiers
| CAS Number | 317844-58-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4 |
Product Overview
1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 317844-58-9), with molecular formula C22H21ClN4O3 and molecular weight 424.13 g/mol. IUPAC: 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.54454 indicates that 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-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 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 317844-58-9.
What is the molecular formula of 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C22H21ClN4O3.
What is the molecular weight of 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 424.13 g/mol.
Where can I buy 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.