9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione
TL;DR: 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione (CAS 42204-07-9) is a chemical compound with molecular formula C10H12N4OS and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(oxan-2-yl)-3H-purine-6-thione
Also Known As: 9-(oxan-2-yl)-3H-purine-6-thione, 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione, 6H-Purine-6-thione,9-dihydro-9-(tetrahydro-2H-pyran-2-yl)-, 6H-Purine-6-thione, 1,9-dihydro-9-(tetrahydro-2H-pyran-2-yl)-
| Molecular Formula | C10H12N4OS |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 2.18799 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.07318 |
| Heavy Atoms | 16 |
| Complexity | 555.1895 |
Chemical Identifiers
| CAS Number | 42204-07-9 |
|---|---|
| SMILES | C1CCOC(C1)N2C=NC3=C2NC=NC3=S |
Product Overview
9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione (CAS 42204-07-9), with molecular formula C10H12N4OS and molecular weight 236.07 g/mol. IUPAC: 9-(oxan-2-yl)-3H-purine-6-thione.
Chemical Property Profile of 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione
Property Insights of 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione
The XLogP value of 2.18799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione. With a topological polar surface area (TPSA) of 55.73 Ų, 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione 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 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione?
The CAS number of 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione is 42204-07-9.
What is the molecular formula of 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione?
The molecular formula of 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione is C10H12N4OS.
What is the molecular weight of 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione?
The molecular weight of 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione is 236.07 g/mol.
Where can I buy 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione?
You can request a quote for 9-(Oxan-2-yl)-3,9-dihydro-6H-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-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-(Oxan-2-yl)-3,9-dihydro-6H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.