TL;DR: (8aza-2-NH2-6-Cl-9(diOH-4-OHCH2CyPent)P (CAS 125073-28-1) is a chemical compound with molecular formula C10H13ClN6O3 and molecular weight 300.07376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,3R,5R)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Also Known As: (8aza-2-NH2-6-Cl-9(diOH-4-OHCH2CyPent)P, 1,2-Cyclopentanediol, 3-(5-amino-7-chloro-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)-5-(hydroxymethyl)-, (1alpha,2alpha,3alpha,5alpha)-, (+-)-, (1S,2R,3R,5R)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol, (1S,2R,3R,5R)-3-(5-Amino-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol, (1S,2R,3R,5R)-3-(5-amino-7-chloro-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
| Molecular Formula | C10H13ClN6O3 |
| Molecular Weight | 300.07376 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.07376 Da |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
| SMILES | C1[C@@H]([C@@H]([C@@H]([C@@H]1N2C3=C(C(=NC(=N3)N)Cl)N=N2)O)O)CO |
| InChIKey | OGDHXDCHRQQLSX-ZCBVHYEASA-N |
The XLogP value of -0.7 indicates that (8aza-2-NH2-6-Cl-9(diOH-4-OHCH2CyPent)P is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting (8aza-2-NH2-6-Cl-9(diOH-4-OHCH2CyPent)P may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (8aza-2-NH2-6-Cl-9(diOH-4-OHCH2CyPent)P has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (8aza-2-NH2-6-Cl-9(diOH-4-OHCH2CyPent)P is 125073-28-1.
The molecular formula of (8aza-2-NH2-6-Cl-9(diOH-4-OHCH2CyPent)P is C10H13ClN6O3.
The molecular weight of (8aza-2-NH2-6-Cl-9(diOH-4-OHCH2CyPent)P is 300.07376 g/mol.
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