9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione
TL;DR: 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione (CAS 7504-08-7) is a chemical compound with molecular formula C12H16N4O3S2 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[3-ethylsulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Also Known As: 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione, 9-[3-ethylsulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
| Molecular Formula | C12H16N4O3S2 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 0.86119 |
| Topological Polar Surface Area | 96.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.06638 |
| Heavy Atoms | 21 |
| Complexity | 688.4375 |
Chemical Identifiers
| CAS Number | 7504-08-7 |
|---|---|
| SMILES | CCSC1C(C(OC1N2C=NC3=C2NC=NC3=S)CO)O |
Product Overview
9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione (CAS 7504-08-7), with molecular formula C12H16N4O3S2 and molecular weight 328.07 g/mol. IUPAC: 9-[3-ethylsulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione.
Chemical Property Profile of 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione
Property Insights of 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione
The XLogP value of 0.86119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione. The TPSA of 96.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione. Following Lipinski's Rule of Five, 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione has 3 hydrogen bond donor(s) and 7 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-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione?
The CAS number of 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione is 7504-08-7.
What is the molecular formula of 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione?
The molecular formula of 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione is C12H16N4O3S2.
What is the molecular weight of 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione?
The molecular weight of 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione is 328.07 g/mol.
Where can I buy 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione?
You can request a quote for 9-(2-S-ethyl-2-thiopentofuranosyl)-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-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-S-ethyl-2-thiopentofuranosyl)-3,9-dihydro-6H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.