7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione (CAS 536719-01-4) is a chemical compound with molecular formula C15H16ClN5O2 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione
Also Known As: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione, F1144-0092, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C15H16ClN5O2 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 1.1771 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.09924 |
| Heavy Atoms | 23 |
| Complexity | 997.85474 |
Chemical Identifiers
| CAS Number | 536719-01-4 |
|---|---|
| SMILES | CNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione (CAS 536719-01-4), with molecular formula C15H16ClN5O2 and molecular weight 333.10 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione.
Chemical Property Profile of 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.1771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-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 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione is 536719-01-4.
What is the molecular formula of 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione is C15H16ClN5O2.
What is the molecular weight of 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione is 333.10 g/mol.
Where can I buy 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-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 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.