9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione
TL;DR: 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione (CAS 2946-43-2) is a chemical compound with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3H-purine-6-thione
Also Known As: 9-Dafp, 9-(6'-Deoxy-beta-D-allofuranosyl)-6-thiopurine, 6H-Purine-6-thione, 9-(6-deoxy-beta-D-allofuranosyl)-1,9-dihydro-, 9H-Purine-6-thiol, 9-(6-deoxy-beta-D-allofuranosyl)-, 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3H-purine-6-thione
| Molecular Formula | C11H14N4O4S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | -0.51111 |
| Topological Polar Surface Area | 116.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.07358 |
| Heavy Atoms | 20 |
| Complexity | 684.3581 |
Chemical Identifiers
| CAS Number | 2946-43-2 |
|---|---|
| SMILES | C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC=NC3=S)O)O)O |
Product Overview
9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione (CAS 2946-43-2), with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol. IUPAC: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3H-purine-6-thione.
Chemical Property Profile of 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione
Property Insights of 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione
The XLogP value of -0.51111 indicates that 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione. Following Lipinski's Rule of Five, 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-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 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione?
The CAS number of 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione is 2946-43-2.
What is the molecular formula of 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione?
The molecular formula of 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione is C11H14N4O4S.
What is the molecular weight of 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione?
The molecular weight of 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione is 298.07 g/mol.
Where can I buy 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione?
You can request a quote for 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-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-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-(6-Deoxy-beta-D-allofuranosyl)-1,9-dihydro-6H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.