![8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione structure](/static/products/303/303973-66-2.png)
8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione
TL;DR: 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione (CAS 303973-66-2) is a chemical compound with molecular formula C16H14BrClN4O2 and molecular weight 408.00 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-prop-2-enylpurine-2,6-dione
Also Known As: 1-allyl-8-bromo-7-(2-chlorobenzyl)-3-methyl-xanthine, 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione, 1-Allyl-8-bromo-7-(2-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione, 1-allyl-8-bromo-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enyl-purine-2,6-dione
| Molecular Formula | C16H14BrClN4O2 |
|---|---|
| Molecular Weight | 408.00 g/mol |
| LogP | 2.5469 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.99887 |
| Heavy Atoms | 24 |
| Complexity | 1064.3502 |
Chemical Identifiers
| CAS Number | 303973-66-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)Br)CC3=CC=CC=C3Cl |
Product Overview
8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione (CAS 303973-66-2), with molecular formula C16H14BrClN4O2 and molecular weight 408.00 g/mol. IUPAC: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione
Property Insights of 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione
The XLogP value of 2.5469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-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-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione?
The CAS number of 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione is 303973-66-2.
What is the molecular formula of 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione?
The molecular formula of 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione is C16H14BrClN4O2.
What is the molecular weight of 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione?
The molecular weight of 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione is 408.00 g/mol.
Where can I buy 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione?
You can request a quote for 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-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-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.