3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione (CAS 730992-64-0) is a chemical compound with molecular formula C13H19ClN4O2 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-8-(chloromethyl)-7-propylpurine-2,6-dione
Also Known As: 3-Butyl-8-(chloromethyl)-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione, 3-butyl-8-(chloromethyl)-7-propylpurine-2,6-dione, 3-Butyl-8-(chloromethyl)-3,7-dihydro-7-propyl-1H-purine-2,6-dione
| Molecular Formula | C13H19ClN4O2 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 1.8352 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.11966 |
| Heavy Atoms | 20 |
| Complexity | 713.4551 |
Chemical Identifiers
| CAS Number | 730992-64-0 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)CCC |
Product Overview
3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione (CAS 730992-64-0), with molecular formula C13H19ClN4O2 and molecular weight 298.12 g/mol. IUPAC: 3-butyl-8-(chloromethyl)-7-propylpurine-2,6-dione.
Chemical Property Profile of 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.8352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-butyl-8-(chloromethyl)-7-propyl-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 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione is 730992-64-0.
What is the molecular formula of 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione is C13H19ClN4O2.
What is the molecular weight of 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione is 298.12 g/mol.
Where can I buy 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 3-butyl-8-(chloromethyl)-7-propyl-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 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-butyl-8-(chloromethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.