8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione (CAS 303973-69-5) is a chemical compound with molecular formula C16H16BrClN4O2 and molecular weight 410.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-propylpurine-2,6-dione
Also Known As: BAS 00733945, 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-1H-purine-2,6(3H,7H)-dione, 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-propylpurine-2,6-dione, 8-Bromo-7-(2-chloro-benzyl)-3-methyl-1-propyl-3,7-dihydro-purine-2,6-dione, 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H16BrClN4O2 |
|---|---|
| Molecular Weight | 410.01 g/mol |
| LogP | 2.7709 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.01453 |
| Heavy Atoms | 24 |
| Complexity | 1034.9591 |
Chemical Identifiers
| CAS Number | 303973-69-5 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Br)N(C1=O)C |
Product Overview
8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione (CAS 303973-69-5), with molecular formula C16H16BrClN4O2 and molecular weight 410.01 g/mol. IUPAC: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-propylpurine-2,6-dione.
Chemical Property Profile of 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.7709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 3 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 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione is 303973-69-5.
What is the molecular formula of 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione is C16H16BrClN4O2.
What is the molecular weight of 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione is 410.01 g/mol.
Where can I buy 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-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 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.