9-(2-furylmethyl)-9H-purine-6-thiol
TL;DR: 9-(2-furylmethyl)-9H-purine-6-thiol (CAS 17801-50-2) is a chemical compound with molecular formula C10H8N4OS and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(furan-2-ylmethyl)-3H-purine-6-thione
Also Known As: 9-(2-furylmethyl)-9H-purine-6-thiol, 9-(furan-2-ylmethyl)-3H-purine-6-thione, 9-(2-furylmethyl)-3H-purine-6-thione, NCI60_041720, 9-[(Furan-2-yl)methyl]-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C10H8N4OS |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 2.13019 |
| Topological Polar Surface Area | 59.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.04189 |
| Heavy Atoms | 16 |
| Complexity | 667.5034 |
Chemical Identifiers
| CAS Number | 17801-50-2 |
|---|---|
| SMILES | C1=COC(=C1)CN2C=NC3=C2NC=NC3=S |
Product Overview
9-(2-furylmethyl)-9H-purine-6-thiol (CAS 17801-50-2), with molecular formula C10H8N4OS and molecular weight 232.04 g/mol. IUPAC: 9-(furan-2-ylmethyl)-3H-purine-6-thione.
Chemical Property Profile of 9-(2-furylmethyl)-9H-purine-6-thiol
Property Insights of 9-(2-furylmethyl)-9H-purine-6-thiol
The XLogP value of 2.13019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2-furylmethyl)-9H-purine-6-thiol. With a topological polar surface area (TPSA) of 59.64 Ų, 9-(2-furylmethyl)-9H-purine-6-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(2-furylmethyl)-9H-purine-6-thiol 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-(2-furylmethyl)-9H-purine-6-thiol?
The CAS number of 9-(2-furylmethyl)-9H-purine-6-thiol is 17801-50-2.
What is the molecular formula of 9-(2-furylmethyl)-9H-purine-6-thiol?
The molecular formula of 9-(2-furylmethyl)-9H-purine-6-thiol is C10H8N4OS.
What is the molecular weight of 9-(2-furylmethyl)-9H-purine-6-thiol?
The molecular weight of 9-(2-furylmethyl)-9H-purine-6-thiol is 232.04 g/mol.
Where can I buy 9-(2-furylmethyl)-9H-purine-6-thiol?
You can request a quote for 9-(2-furylmethyl)-9H-purine-6-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-furylmethyl)-9H-purine-6-thiol?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-furylmethyl)-9H-purine-6-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.