8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1)
TL;DR: 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1) (CAS 6321-53-5) is a chemical compound with molecular formula C15H18BrN5O2 and molecular weight 379.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1,3-dimethyl-7H-purine-2,6-dione;1-phenylethanamine
Also Known As: 8-bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione- 1-phenylethanamine(1:1), 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; 1-phenylethanamine, 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--1-phenylethan-1-amine (1/1)
| Molecular Formula | C15H18BrN5O2 |
|---|---|
| Molecular Weight | 379.06 g/mol |
| LogP | 1.4291 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.0644 |
| Heavy Atoms | 23 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 6321-53-5 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br |
| InChIKey | CUEWIYGJZGTUTM-UHFFFAOYSA-N |
Product Overview
8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1) (CAS 6321-53-5), with molecular formula C15H18BrN5O2 and molecular weight 379.06 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione;1-phenylethanamine.
Chemical Property Profile of 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1)
Property Insights of 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1)
The XLogP value of 1.4291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1). The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1). Following Lipinski's Rule of Five, 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1) has 2 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 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1)?
The CAS number of 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1) is 6321-53-5.
What is the molecular formula of 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1)?
The molecular formula of 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1) is C15H18BrN5O2.
What is the molecular weight of 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1)?
The molecular weight of 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1) is 379.06 g/mol.
Where can I buy 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1)?
You can request a quote for 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione-1-phenylethanamine(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.