9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione
TL;DR: 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione (CAS 6305-15-3) is a chemical compound with molecular formula C11H7ClN4O3 and molecular weight 278.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-3,7-dihydropurine-2,6,8-trione
Also Known As: 9- -3,7-dihydropurine-2,6,8-trione, 9-(4-chlorophenyl)-3,7-dihydropurine-2,6,8-trione, 9-(4-chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione, 9-(4-chlorophenyl)-2,6-dihydroxy-7H-purin-8-one, 1H-Purine-2,6,8(3H)-trione,9-(4-chlorophenyl)-7,9-dihydro-
| Molecular Formula | C11H7ClN4O3 |
|---|---|
| Molecular Weight | 278.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.02066 |
| Heavy Atoms | 19 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 6305-15-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C3=C(C(=O)NC(=O)N3)NC2=O)Cl |
| InChIKey | WSURXXZRIHEJDE-UHFFFAOYSA-N |
Product Overview
9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione (CAS 6305-15-3), with molecular formula C11H7ClN4O3 and molecular weight 278.02 g/mol. IUPAC: 9-(4-chlorophenyl)-3,7-dihydropurine-2,6,8-trione.
Chemical Property Profile of 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione
Property Insights of 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione. Following Lipinski's Rule of Five, 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione has 3 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 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione?
The CAS number of 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione is 6305-15-3.
What is the molecular formula of 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione?
The molecular formula of 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione is C11H7ClN4O3.
What is the molecular weight of 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione?
The molecular weight of 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione is 278.02 g/mol.
Where can I buy 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione?
You can request a quote for 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-Chlorophenyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.