3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione
TL;DR: 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione (CAS 7505-71-7) is a chemical compound with molecular formula C18H23N5O2 and molecular weight 341.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione
Also Known As: 3-benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione, 3-benzyl-8-diethylamino-1,9-dimethyl-purine-2,6-dione, 3-Benzyl-8-(diethylamino)-1,9-dimethyl-3,9-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H23N5O2 |
|---|---|
| Molecular Weight | 341.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.18518 |
| Heavy Atoms | 25 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 7505-71-7 |
|---|---|
| SMILES | CCN(CC)C1=NC2=C(N1C)N(C(=O)N(C2=O)C)CC3=CC=CC=C3 |
| InChIKey | JZOJMWBMMUXBID-UHFFFAOYSA-N |
Product Overview
3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione (CAS 7505-71-7), with molecular formula C18H23N5O2 and molecular weight 341.19 g/mol. IUPAC: 3-benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione.
Chemical Property Profile of 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione
Property Insights of 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione has 0 hydrogen bond donor(s) and 4 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-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione?
The CAS number of 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione is 7505-71-7.
What is the molecular formula of 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione?
The molecular formula of 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione is C18H23N5O2.
What is the molecular weight of 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione?
The molecular weight of 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione is 341.19 g/mol.
Where can I buy 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione?
You can request a quote for 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-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-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.