TL;DR: 3'-(2-Me-4-NO2imidazol-1-yl)-a-dT (CAS 132149-47-4) is a chemical compound with molecular formula C14H17N5O6 and molecular weight 351.1179 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2S,4S,5S)-5-(hydroxymethyl)-4-(2-methyl-4-nitroimidazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-(2-Me-4-NO2imidazol-1-yl)-a-dT, 2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-3-(2-methyl-4-nitro-1H-imidazol-1-yl)-alpha-D-erythro-pentofuranosyl)-5-methyl-, 1-(3-(2-Methyl-4-nitroimidazol-1-yl)-2,3-dideoxy-alpha-D-erythro-pentofuranosyl)-, 1-[3-(2-Methyl-4-nitroimidazol-1-yl)-2,3-dideoxy-.alpha.-D-erythro-pentofuranosyl]-, 1-[(2S,4S,5S)-5-(hydroxymethyl)-4-(2-methyl-4-nitro-1H-imidazol-1-yl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C14H17N5O6 |
| Molecular Weight | 351.1179 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1179 Da |
| Heavy Atoms | 25 |
| Complexity | 619.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)N3C=C(N=C3C)[N+](=O)[O-] |
| InChIKey | BTVNUDPMZXRMHQ-UMNHJUIQSA-N |
The XLogP value of -0.6 indicates that 3'-(2-Me-4-NO2imidazol-1-yl)-a-dT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 3'-(2-Me-4-NO2imidazol-1-yl)-a-dT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-(2-Me-4-NO2imidazol-1-yl)-a-dT has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3'-(2-Me-4-NO2imidazol-1-yl)-a-dT is 132149-47-4.
The molecular formula of 3'-(2-Me-4-NO2imidazol-1-yl)-a-dT is C14H17N5O6.
The molecular weight of 3'-(2-Me-4-NO2imidazol-1-yl)-a-dT is 351.1179 g/mol.
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