3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
TL;DR: 3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione (CAS 7702-24-1) is a chemical compound with molecular formula C14H21N5O2 and molecular weight 291.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: 3-ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione, 3-ethyl-1,7-dimethyl-8-(1-piperidyl)purine-2,6-dione, 3-Ethyl-1,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H21N5O2 |
|---|---|
| Molecular Weight | 291.17 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.16953 |
| Heavy Atoms | 21 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 7702-24-1 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)C |
| InChIKey | YKJNCCWDRDIHBR-UHFFFAOYSA-N |
Product Overview
3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione (CAS 7702-24-1), with molecular formula C14H21N5O2 and molecular weight 291.17 g/mol. IUPAC: 3-ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Property Insights of 3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-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-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione. Following Lipinski's Rule of Five, 3-Ethyl-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-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The CAS number of 3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione is 7702-24-1.
What is the molecular formula of 3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The molecular formula of 3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione is C14H21N5O2.
What is the molecular weight of 3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The molecular weight of 3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione is 291.17 g/mol.
Where can I buy 3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
You can request a quote for 3-Ethyl-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-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.