1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 370075-31-3) 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-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethyl-purine-2,6-dione, 1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione, 1-[(2-CHLOROPHENYL)METHYL]-8-(3,4-DIMETHYLPHENOXY)-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-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 | 1398.258 |
Chemical Identifiers
| CAS Number | 370075-31-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl)C |
Product Overview
1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 370075-31-3), with molecular formula C22H21ClN4O3 and molecular weight 424.13 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.54454 indicates that 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-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-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-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-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 370075-31-3.
What is the molecular formula of 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H21ClN4O3.
What is the molecular weight of 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 424.13 g/mol.
Where can I buy 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.