8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 71759-89-2) is a chemical compound with molecular formula C12H19N5O2 and molecular weight 265.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(butylamino)-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(butylamino)-1,3,7-trimethylpurine-2,6-dione, BAS 02224304, [1,3]DIOXOLO[4,5-G]QUINOLIN-6-OL, 8-(butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione, AB01287535-01
| Molecular Formula | C12H19N5O2 |
|---|---|
| Molecular Weight | 265.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.15387 |
| Heavy Atoms | 19 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 71759-89-2 |
|---|---|
| SMILES | CCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C |
| InChIKey | ODDFQLKZDYVWPV-UHFFFAOYSA-N |
Product Overview
8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 71759-89-2), with molecular formula C12H19N5O2 and molecular weight 265.15 g/mol. IUPAC: 8-(butylamino)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-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-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione is 71759-89-2.
What is the molecular formula of 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione is C12H19N5O2.
What is the molecular weight of 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione is 265.15 g/mol.
Where can I buy 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-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-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Butylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.