7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 369605-56-1) is a chemical compound with molecular formula C17H20ClN5O2 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-(diethylamino)-3-methylpurine-2,6-dione
Also Known As: BAS 00620097, 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione, 7-(2-chlorobenzyl)-8-(diethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, F0372-0269, 7-[(2-chlorophenyl)methyl]-8-(diethylamino)-3-methylpurine-2,6-dione
| Molecular Formula | C17H20ClN5O2 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 1.9712 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.13055 |
| Heavy Atoms | 25 |
| Complexity | 1029.6747 |
Chemical Identifiers
| CAS Number | 369605-56-1 |
|---|---|
| SMILES | CCN(CC)C1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C |
Product Overview
7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 369605-56-1), with molecular formula C17H20ClN5O2 and molecular weight 361.13 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-(diethylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 1.9712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione has 1 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 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione is 369605-56-1.
What is the molecular formula of 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione is C17H20ClN5O2.
What is the molecular weight of 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione is 361.13 g/mol.
Where can I buy 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-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-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Chloro-benzyl)-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.