9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine
TL;DR: 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine (CAS 53458-25-6) is a chemical compound with molecular formula C12H18N6O3S and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-diaminopurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Also Known As: 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine, 2-(2,6-diaminopurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
| Molecular Formula | C12H18N6O3S |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.11612 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 53458-25-6 |
|---|---|
| SMILES | CCSCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)N)O)O |
| InChIKey | LRNZCUFEERSRFV-UHFFFAOYSA-N |
Product Overview
9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine (CAS 53458-25-6), with molecular formula C12H18N6O3S and molecular weight 326.12 g/mol. IUPAC: 2-(2,6-diaminopurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine
Property Insights of 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine
The XLogP value of -0.2 indicates that 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine has 4 hydrogen bond donor(s) and 9 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-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine?
The CAS number of 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine is 53458-25-6.
What is the molecular formula of 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine?
The molecular formula of 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine is C12H18N6O3S.
What is the molecular weight of 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine?
The molecular weight of 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine is 326.12 g/mol.
Where can I buy 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine?
You can request a quote for 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purine-2,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.