8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione
TL;DR: 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione (CAS 4921-53-3) is a chemical compound with molecular formula C8H9ClN4O2 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1,3,9-trimethylpurine-2,6-dione
Also Known As: 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione, 8-chloro-1,3,9-trimethylpurine-2,6-dione, 8-chloro-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione, AI-204/31715053, 8-chloro-1,3,9-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C8H9ClN4O2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | -0.3759 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.0414 |
| Heavy Atoms | 15 |
| Complexity | 663.80225 |
Chemical Identifiers
| CAS Number | 4921-53-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Cl |
Product Overview
8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione (CAS 4921-53-3), with molecular formula C8H9ClN4O2 and molecular weight 228.04 g/mol. IUPAC: 8-chloro-1,3,9-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione
Property Insights of 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione
The XLogP value of -0.3759 indicates that 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione. Following Lipinski's Rule of Five, 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione has 0 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-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione?
The CAS number of 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione is 4921-53-3.
What is the molecular formula of 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione?
The molecular formula of 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione is C8H9ClN4O2.
What is the molecular weight of 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione?
The molecular weight of 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione is 228.04 g/mol.
Where can I buy 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione?
You can request a quote for 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.