9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine
TL;DR: 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine (CAS 93014-76-7) is a chemical compound with molecular formula C16H18N6S and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-cyclopentyl-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine
Also Known As: 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine, NCI60_004452, 9-cyclopentyl-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine, 9-cyclopentyl-6-(2-pyridylmethylsulfanyl)purin-2-amine, 9H-Purin-2-amine, 9-cyclopentyl-6-[(2-pyridinylmethyl)thio]-
| Molecular Formula | C16H18N6S |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.13138 |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 93014-76-7 |
|---|---|
| SMILES | C1CCC(C1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=N4)N |
| InChIKey | CHQGTTKOFFXHJB-UHFFFAOYSA-N |
Product Overview
9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine (CAS 93014-76-7), with molecular formula C16H18N6S and molecular weight 326.13 g/mol. IUPAC: 9-cyclopentyl-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine.
Chemical Property Profile of 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine
Property Insights of 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine. Following Lipinski's Rule of Five, 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine has 1 hydrogen bond donor(s) and 6 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-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine?
The CAS number of 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine is 93014-76-7.
What is the molecular formula of 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine?
The molecular formula of 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine is C16H18N6S.
What is the molecular weight of 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine?
The molecular weight of 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine is 326.13 g/mol.
Where can I buy 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine?
You can request a quote for 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-Cyclopentyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.