9-cycloheptyl-3H-purine-6-thione
TL;DR: 9-cycloheptyl-3H-purine-6-thione (CAS 6961-63-3) is a chemical compound with molecular formula C12H16N4S and molecular weight 248.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-cycloheptyl-3H-purine-6-thione
Also Known As: 9-cycloheptyl-3H-purine-6-thione, 9-cycloheptyl-1,9-dihydro-purine-6-thione, 9-Cycloheptyl-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C12H16N4S |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 3.38419 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.10957 |
| Heavy Atoms | 17 |
| Complexity | 563.13446 |
Chemical Identifiers
| CAS Number | 6961-63-3 |
|---|---|
| SMILES | C1CCCC(CC1)N2C=NC3=C2NC=NC3=S |
Product Overview
9-cycloheptyl-3H-purine-6-thione (CAS 6961-63-3), with molecular formula C12H16N4S and molecular weight 248.11 g/mol. IUPAC: 9-cycloheptyl-3H-purine-6-thione.
Chemical Property Profile of 9-cycloheptyl-3H-purine-6-thione
Property Insights of 9-cycloheptyl-3H-purine-6-thione
The XLogP value of 3.38419 indicates that 9-cycloheptyl-3H-purine-6-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 9-cycloheptyl-3H-purine-6-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-cycloheptyl-3H-purine-6-thione 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 9-cycloheptyl-3H-purine-6-thione?
The CAS number of 9-cycloheptyl-3H-purine-6-thione is 6961-63-3.
What is the molecular formula of 9-cycloheptyl-3H-purine-6-thione?
The molecular formula of 9-cycloheptyl-3H-purine-6-thione is C12H16N4S.
What is the molecular weight of 9-cycloheptyl-3H-purine-6-thione?
The molecular weight of 9-cycloheptyl-3H-purine-6-thione is 248.11 g/mol.
Where can I buy 9-cycloheptyl-3H-purine-6-thione?
You can request a quote for 9-cycloheptyl-3H-purine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-cycloheptyl-3H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-cycloheptyl-3H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.