![1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/369/369607-14-7.png)
1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione (CAS 369607-14-7) is a chemical compound with molecular formula C18H21Cl2N5O2 and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione
Also Known As: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione, 1-(3,4-dichlorobenzyl)-8-(isobutylamino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione
| Molecular Formula | C18H21Cl2N5O2 |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 2.8567 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.10724 |
| Heavy Atoms | 27 |
| Complexity | 1127.4531 |
Chemical Identifiers
| CAS Number | 369607-14-7 |
|---|---|
| SMILES | CC(C)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione (CAS 369607-14-7), with molecular formula C18H21Cl2N5O2 and molecular weight 409.11 g/mol. IUPAC: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione.
Chemical Property Profile of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.8567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-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 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione is 369607-14-7.
What is the molecular formula of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione is C18H21Cl2N5O2.
What is the molecular weight of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione is 409.11 g/mol.
Where can I buy 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-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-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.