3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
TL;DR: 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione (CAS 7504-45-2) 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.
3-butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: 3-butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione, 3-butyl-1,7-dimethyl-8-(1-piperidyl)purine-2,6-dione, 3-Butyl-1,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H25N5O2 |
|---|---|
| Molecular Weight | 319.20 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.20084 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 7504-45-2 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)C |
| InChIKey | UDNKIWUAOHLBQI-UHFFFAOYSA-N |
Product Overview
3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione (CAS 7504-45-2), with molecular formula C16H25N5O2 and molecular weight 319.20 g/mol. IUPAC: 3-butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Property Insights of 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione. Following Lipinski's Rule of Five, 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-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 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The CAS number of 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione is 7504-45-2.
What is the molecular formula of 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The molecular formula of 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione is C16H25N5O2.
What is the molecular weight of 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The molecular weight of 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione is 319.20 g/mol.
Where can I buy 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
You can request a quote for 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-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 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.