1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 843634-96-8) is a chemical compound with molecular formula C18H19Cl2N5O2 and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione, 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
| Molecular Formula | C18H19Cl2N5O2 |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 2.389 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.09158 |
| Heavy Atoms | 27 |
| Complexity | 1155.2391 |
Chemical Identifiers
| CAS Number | 843634-96-8 |
|---|---|
| SMILES | CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C |
Product Overview
1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 843634-96-8), with molecular formula C18H19Cl2N5O2 and molecular weight 407.09 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-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 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 843634-96-8.
What is the molecular formula of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is C18H19Cl2N5O2.
What is the molecular weight of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 407.09 g/mol.
Where can I buy 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-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 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.