7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 330558-88-8) 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.
7-(2-chloroethyl)-3-methylpurine-2,6-dione
Also Known As: 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-chloroethyl)-3-methylpurine-2,6-dione, 7-(2-chloroethyl)-3-methyl-purine-2,6-dione, 1H-purine-2,6-dione, 7-(2-chloroethyl)-3,7-dihydro-3-methyl-, 7-(2-chloroethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C8H9ClN4O2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | -0.3379 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.0414 |
| Heavy Atoms | 15 |
| Complexity | 609.1097 |
Chemical Identifiers
| CAS Number | 330558-88-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C=N2)CCCl |
Product Overview
7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 330558-88-8), with molecular formula C8H9ClN4O2 and molecular weight 228.04 g/mol. IUPAC: 7-(2-chloroethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -0.3379 indicates that 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-chloroethyl)-3-methyl-3,7-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 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 330558-88-8.
What is the molecular formula of 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C8H9ClN4O2.
What is the molecular weight of 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 228.04 g/mol.
Where can I buy 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2-chloroethyl)-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 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.