8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione
TL;DR: 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione (CAS 29220-28-8) is a chemical compound with molecular formula C13H11ClN4O2 and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione
Also Known As: BAS 00444333, 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione, 8-(4-chlorophenyl)-1,9-dimethyl-xanthine, 8-(4-Chloro-phenyl)-1,9-dimethyl-3,9-dihydro-purine-2,6-dione, 8-(4-chlorophenyl)-1,9-dimethyl-1,3-dihydropurine-2,6-dione
| Molecular Formula | C13H11ClN4O2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.05707 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 29220-28-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(C=C3)Cl |
| InChIKey | OCVOFFXSXLBDQP-UHFFFAOYSA-N |
Product Overview
8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione (CAS 29220-28-8), with molecular formula C13H11ClN4O2 and molecular weight 290.06 g/mol. IUPAC: 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione.
Chemical Property Profile of 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione
Property Insights of 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(4-chlorophenyl)-1,9-dimethyl-3H-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)-1,9-dimethyl-3H-purine-2,6-dione?
The CAS number of 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione is 29220-28-8.
What is the molecular formula of 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione?
The molecular formula of 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione is C13H11ClN4O2.
What is the molecular weight of 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione?
The molecular weight of 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione is 290.06 g/mol.
Where can I buy 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione?
You can request a quote for 8-(4-chlorophenyl)-1,9-dimethyl-3H-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)-1,9-dimethyl-3H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.