9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-
TL;DR: 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)- (CAS 14133-14-3) is a chemical compound with molecular formula C11H15N5S and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(piperidin-1-ylmethyl)-3H-purine-6-thione
Also Known As: TimTec1_004399, 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-, 9-(piperidylmethyl)hydropurine-6-thione, 9-(piperidin-1-ylmethyl)-3H-purine-6-thione, 9-(1-Piperidinylmethyl)-1,9-dihydro-6H-purine-6-thione
| Molecular Formula | C11H15N5S |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.10481 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 14133-14-3 |
|---|---|
| SMILES | C1CCN(CC1)CN2C=NC3=C2NC=NC3=S |
| InChIKey | JSSLMMRNHVEVHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9H-Purine-6(1H)-thione, 9-(piperidinomethyl)- (CAS 14133-14-3), with molecular formula C11H15N5S and molecular weight 249.10 g/mol. IUPAC: 9-(piperidin-1-ylmethyl)-3H-purine-6-thione.
Chemical Property Profile of 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-
Property Insights of 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-. Following Lipinski's Rule of Five, 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)- has 1 hydrogen bond donor(s) and 3 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 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-?
The CAS number of 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)- is 14133-14-3.
What is the molecular formula of 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-?
The molecular formula of 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)- is C11H15N5S.
What is the molecular weight of 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-?
The molecular weight of 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)- is 249.10 g/mol.
Where can I buy 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-?
You can request a quote for 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-6(1H)-thione, 9-(piperidinomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.