![8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione structure](/static/products/4782/478253-10-0.webp)
8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione
TL;DR: 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione (CAS 478253-10-0) is a chemical compound with molecular formula C19H22ClN5O2 and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione, 8-(Benzyl(methyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[benzyl(methyl)amino]-7-[(2Z)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C19H22ClN5O2 |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 2.2127 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.1462 |
| Heavy Atoms | 27 |
| Complexity | 1120.938 |
Chemical Identifiers
| CAS Number | 478253-10-0 |
|---|---|
| SMILES | CC(=CCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)Cl |
Product Overview
8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione (CAS 478253-10-0), with molecular formula C19H22ClN5O2 and molecular weight 387.15 g/mol. IUPAC: 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione
Property Insights of 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione
The XLogP value of 2.2127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione has 0 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-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione?
The CAS number of 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione is 478253-10-0.
What is the molecular formula of 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione?
The molecular formula of 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione is C19H22ClN5O2.
What is the molecular weight of 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione?
The molecular weight of 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione is 387.15 g/mol.
Where can I buy 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione?
You can request a quote for 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-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-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.