TL;DR: alpha-TGdR (CAS 1394294-87-1) is a chemical compound with molecular formula C10H13N5O3S and molecular weight 283.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Also Known As: .alpha.-TGdR, 2'-Deoxythioguanosine, .beta.-TGdR, 7-Deaza-dX, 6-Thio-dG
| Molecular Formula | C10H13N5O3S |
| Molecular Weight | 283.0739 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.0739 Da |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
| SMILES | C1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O |
| InChIKey | SCVJRXQHFJXZFZ-UHFFFAOYSA-N |
The XLogP value of -0.8 indicates that alpha-TGdR is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting alpha-TGdR may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-TGdR has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of alpha-TGdR is 1394294-87-1.
The molecular formula of alpha-TGdR is C10H13N5O3S.
The molecular weight of alpha-TGdR is 283.0739 g/mol.
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