8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione
TL;DR: 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione (CAS 5735-06-8) is a chemical compound with molecular formula C20H17ClN4O2 and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3H-purine-2,6-dione
Also Known As: AB01229991-02, 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione, 8-(4-chlorophenyl)-1-methyl-9-phenethyl-1H-purine-2,6(3H,9H)-dione, 8-(4-CHLOROPHENYL)-1-METHYL-9-(2-PHENYLETHYL)-3H-PURINE-2,6-DIONE, 8-(4-chlorophenyl)-1-methyl-9-phenethyl-3H-purine-2,6-dione
| Molecular Formula | C20H17ClN4O2 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.104 |
| Heavy Atoms | 27 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 5735-06-8 |
|---|---|
| SMILES | CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4 |
| InChIKey | NJOJAKUYWMMTKI-UHFFFAOYSA-N |
Product Overview
8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione (CAS 5735-06-8), with molecular formula C20H17ClN4O2 and molecular weight 380.10 g/mol. IUPAC: 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3H-purine-2,6-dione.
Chemical Property Profile of 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione
Property Insights of 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione
The XLogP value of 3.6 indicates that 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 3 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-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione is 5735-06-8.
What is the molecular formula of 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione is C20H17ClN4O2.
What is the molecular weight of 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione is 380.10 g/mol.
Where can I buy 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-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 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-chlorophenyl)-1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.