9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione
TL;DR: 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione (CAS 7595-45-1) is a chemical compound with molecular formula C13H19N5S and molecular weight 277.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethyl-7-(piperidin-1-ylmethyl)purine-8-thione
Also Known As: 9-ethyl-7-(piperidin-1-ylmethyl)purine-8-thione, 9-Ethyl-7-[(piperidin-1-yl)methyl]-7,9-dihydro-8H-purine-8-thione
| Molecular Formula | C13H19N5S |
|---|---|
| Molecular Weight | 277.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.1361 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 7595-45-1 |
|---|---|
| SMILES | CCN1C2=NC=NC=C2N(C1=S)CN3CCCCC3 |
| InChIKey | XLDHEKHESOOWDV-UHFFFAOYSA-N |
Product Overview
9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione (CAS 7595-45-1), with molecular formula C13H19N5S and molecular weight 277.14 g/mol. IUPAC: 9-ethyl-7-(piperidin-1-ylmethyl)purine-8-thione.
Chemical Property Profile of 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione
Property Insights of 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione. Following Lipinski's Rule of Five, 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione 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 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione?
The CAS number of 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione is 7595-45-1.
What is the molecular formula of 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione?
The molecular formula of 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione is C13H19N5S.
What is the molecular weight of 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione?
The molecular weight of 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione is 277.14 g/mol.
Where can I buy 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione?
You can request a quote for 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.