![7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione structure](/static/products/536/536719-43-4.png)
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
TL;DR: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione (CAS 536719-43-4) is a chemical compound with molecular formula C23H23ClN4O2S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Also Known As: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-((3-phenylpropyl)thio)-1H-purine-2,6(3H,7H)-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(3-phenylpropyl)thio]-3,7-dihydro-1H-purine-2,6-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(3-phenylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C23H23ClN4O2S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 3.8603 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.12302 |
| Heavy Atoms | 31 |
| Complexity | 1324.4382 |
Chemical Identifiers
| CAS Number | 536719-43-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl |
Product Overview
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione (CAS 536719-43-4), with molecular formula C23H23ClN4O2S and molecular weight 454.12 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Property Insights of 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
The XLogP value of 3.8603 indicates that 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)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 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione?
The CAS number of 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione is 536719-43-4.
What is the molecular formula of 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione?
The molecular formula of 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione is C23H23ClN4O2S.
What is the molecular weight of 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione?
The molecular weight of 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione is 454.12 g/mol.
Where can I buy 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione?
You can request a quote for 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)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 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.