8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione (CAS 304871-69-0) is a chemical compound with molecular formula C16H25N5O2 and molecular weight 319.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(dibutylamino)-7-ethenyl-3-methylpurine-2,6-dione
Also Known As: 8-(dibutylamino)-7-ethenyl-3-methylpurine-2,6-dione, 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione, 8-(dibutylamino)-7-ethenyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C16H25N5O2 |
|---|---|
| Molecular Weight | 319.20 g/mol |
| LogP | 1.9304 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.20084 |
| Heavy Atoms | 23 |
| Complexity | 791.1291 |
Chemical Identifiers
| CAS Number | 304871-69-0 |
|---|---|
| SMILES | CCCCN(CCCC)C1=NC2=C(N1C=C)C(=O)NC(=O)N2C |
Product Overview
8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione (CAS 304871-69-0), with molecular formula C16H25N5O2 and molecular weight 319.20 g/mol. IUPAC: 8-(dibutylamino)-7-ethenyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.9304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione has 1 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-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione is 304871-69-0.
What is the molecular formula of 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione is C16H25N5O2.
What is the molecular weight of 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione is 319.20 g/mol.
Where can I buy 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(dibutylamino)-3-methyl-7-vinyl-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-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(dibutylamino)-3-methyl-7-vinyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.