1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 840482-31-7) is a chemical compound with molecular formula C20H23Cl2N5O2 and molecular weight 435.12 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-(3-methylpiperidin-1-yl)purine-2,6-dione
Also Known As: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-methyl-1-piperidyl)purine-2,6-dione, 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione, 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H23Cl2N5O2 |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 3.0251 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.1229 |
| Heavy Atoms | 29 |
| Complexity | 1210.2727 |
Chemical Identifiers
| CAS Number | 840482-31-7 |
|---|---|
| SMILES | CC1CCCN(C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=C(C=C(C=C4)Cl)Cl |
Product Overview
1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 840482-31-7), with molecular formula C20H23Cl2N5O2 and molecular weight 435.12 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione.
Chemical Property Profile of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.0251 indicates that 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-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 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-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-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 840482-31-7.
What is the molecular formula of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is C20H23Cl2N5O2.
What is the molecular weight of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 435.12 g/mol.
Where can I buy 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-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-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.