8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 126686-39-3) is a chemical compound with molecular formula C16H15BrN4O2 and molecular weight 374.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione
Also Known As: 5,8-Difluoro-quinoline-2-carbaldehyde, 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, VU0613418-1, 8-bromo-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione, F3376-2637
| Molecular Formula | C16H15BrN4O2 |
|---|---|
| Molecular Weight | 374.04 g/mol |
| LogP | 1.9096 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.03784 |
| Heavy Atoms | 23 |
| Complexity | 1012.46674 |
Chemical Identifiers
| CAS Number | 126686-39-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)C/C=C/C3=CC=CC=C3 |
Product Overview
8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 126686-39-3), with molecular formula C16H15BrN4O2 and molecular weight 374.04 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione.
Chemical Property Profile of 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.9096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-7-cinnamyl-1,3-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-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-7-cinnamyl-1,3-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-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 126686-39-3.
What is the molecular formula of 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C16H15BrN4O2.
What is the molecular weight of 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 374.04 g/mol.
Where can I buy 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-7-cinnamyl-1,3-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-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-7-cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.