1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione (CAS 368840-02-2) is a chemical compound with molecular formula C21H19Cl2N5O2 and molecular weight 443.09 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-(4-methylanilino)purine-2,6-dione
Also Known As: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione, 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-methylanilino)purine-2,6-dione, 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(4-methylphenyl)amino]purine-2,6-dione, 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(4-methylphenyl)amino]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H19Cl2N5O2 |
|---|---|
| Molecular Weight | 443.09 g/mol |
| LogP | 3.84082 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.09158 |
| Heavy Atoms | 30 |
| Complexity | 1384.0221 |
Chemical Identifiers
| CAS Number | 368840-02-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC(=C(C=C4)Cl)Cl |
Product Overview
1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione (CAS 368840-02-2), with molecular formula C21H19Cl2N5O2 and molecular weight 443.09 g/mol. IUPAC: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-methylanilino)purine-2,6-dione.
Chemical Property Profile of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.84082 indicates that 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-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-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione is 368840-02-2.
What is the molecular formula of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione is C21H19Cl2N5O2.
What is the molecular weight of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione is 443.09 g/mol.
Where can I buy 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-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-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.