![7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/893/893972-64-0.png)
7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 893972-64-0) is a chemical compound with molecular formula C21H25Cl2N5O2 and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione
Also Known As: 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione, 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione, 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1-piperidyl)methyl]purine-2,6-dione, 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H25Cl2N5O2 |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 3.0207 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.13852 |
| Heavy Atoms | 30 |
| Complexity | 1218.8304 |
Chemical Identifiers
| CAS Number | 893972-64-0 |
|---|---|
| SMILES | CC1CCN(CC1)CC2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C |
Product Overview
7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 893972-64-0), with molecular formula C21H25Cl2N5O2 and molecular weight 449.14 g/mol. IUPAC: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.0207 indicates that 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-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 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione is 893972-64-0.
What is the molecular formula of 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione is C21H25Cl2N5O2.
What is the molecular weight of 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione is 449.14 g/mol.
Where can I buy 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)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-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.