3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione
TL;DR: 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione (CAS 30958-53-3) is a chemical compound with molecular formula C12H17N5O2 and molecular weight 263.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: 3,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione, BAS 00162621, 3,7-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 3,7-Dimethyl-8-piperidin-1-yl-3,7-dihydro-purine-2,6-dione, 3,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C12H17N5O2 |
|---|---|
| Molecular Weight | 263.14 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.1382 |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 30958-53-3 |
|---|---|
| SMILES | CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C |
| InChIKey | RULIWFUQPIIWRN-UHFFFAOYSA-N |
Product Overview
3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione (CAS 30958-53-3), with molecular formula C12H17N5O2 and molecular weight 263.14 g/mol. IUPAC: 3,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione
Property Insights of 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dimethyl-8-piperidin-1-ylpurine-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 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The CAS number of 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione is 30958-53-3.
What is the molecular formula of 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The molecular formula of 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione is C12H17N5O2.
What is the molecular weight of 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione?
The molecular weight of 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione is 263.14 g/mol.
Where can I buy 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione?
You can request a quote for 3,7-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 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.