![3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione structure](/static/products/5427/54277-40-6.webp)
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione
TL;DR: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione (CAS 54277-40-6) is a chemical compound with molecular formula C12H13N5O4S and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione
Also Known As: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione, 3-Pentofuranosyl-3,4-dihydro-5H-imidazo[2,1-i]purine-5-thione
| Molecular Formula | C12H13N5O4S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | -0.64691 |
| Topological Polar Surface Area | 120.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.06882 |
| Heavy Atoms | 22 |
| Complexity | 901.8223 |
Chemical Identifiers
| CAS Number | 54277-40-6 |
|---|---|
| SMILES | C1=CN2C(=N1)C3=C(NC2=S)N(C=N3)C4C(C(C(O4)CO)O)O |
Product Overview
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione (CAS 54277-40-6), with molecular formula C12H13N5O4S and molecular weight 323.07 g/mol. IUPAC: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione.
Chemical Property Profile of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione
Property Insights of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione
The XLogP value of -0.64691 indicates that 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione. Following Lipinski's Rule of Five, 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione has 4 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 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione?
The CAS number of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione is 54277-40-6.
What is the molecular formula of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione?
The molecular formula of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione is C12H13N5O4S.
What is the molecular weight of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione?
The molecular weight of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione is 323.07 g/mol.
Where can I buy 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione?
You can request a quote for 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[2,1-f]purine-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.