8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 54013-60-4) is a chemical compound with molecular formula C12H9ClN4O2 and molecular weight 276.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-chlorophenyl)-3-methyl-7H-purine-2,6-dione
Also Known As: 8-(4-chlorophenyl)-3-methyl-7H-purine-2,6-dione, 8-(4-chloro-phenyl)-3-methyl-3,7-dihydro-purine-2,6-dione, I14-22545, 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C12H9ClN4O2 |
|---|---|
| Molecular Weight | 276.04 g/mol |
| LogP | 1.2703 |
| Topological Polar Surface Area | 83.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.0414 |
| Heavy Atoms | 19 |
| Complexity | 873.36615 |
Chemical Identifiers
| CAS Number | 54013-60-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC=C(C=C3)Cl |
Product Overview
8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 54013-60-4), with molecular formula C12H9ClN4O2 and molecular weight 276.04 g/mol. IUPAC: 8-(4-chlorophenyl)-3-methyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.2703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 83.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 2 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)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 54013-60-4.
What is the molecular formula of 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C12H9ClN4O2.
What is the molecular weight of 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 276.04 g/mol.
Where can I buy 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(4-chlorophenyl)-3-methyl-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 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-chlorophenyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.