8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 356088-77-2) is a chemical compound with molecular formula C14H12BrClN4O2 and molecular weight 381.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: ChemDiv1_023441, 8-bromo-1-(2-chlorobenzyl)theobromine, 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, AB01283278-01, F0913-1313
| Molecular Formula | C14H12BrClN4O2 |
|---|---|
| Molecular Weight | 381.98 g/mol |
| LogP | 1.8979 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.98322 |
| Heavy Atoms | 22 |
| Complexity | 1002.47107 |
Chemical Identifiers
| CAS Number | 356088-77-2 |
|---|---|
| SMILES | CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C |
Product Overview
8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 356088-77-2), with molecular formula C14H12BrClN4O2 and molecular weight 381.98 g/mol. IUPAC: 8-bromo-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.8979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-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-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 356088-77-2.
What is the molecular formula of 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C14H12BrClN4O2.
What is the molecular weight of 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 381.98 g/mol.
Where can I buy 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-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 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.