TL;DR: Anhydro-trityl-imidazoyl-thiocarbonyl-T (CAS 132776-28-4) is a chemical compound with molecular formula C33H28N4O5S and molecular weight 592.17804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-[(2R,4R,5R)-11-methyl-10-oxo-4-(trityloxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] imidazole-1-carbothioate
Also Known As: Anhydro-trityl-imidazoyl-thiocarbonyl-T, 2,2'-Anhydro-5'-O-trityl-3'-O-(1-imidazoyl(thiocarbonyl))thymidine, 2,2'-Anhydro-5'-O-trityl-3'-O-[1-imidazoyl(thiocarbonyl)]thymidine, O-[(2R,3R,9aR)-7-methyl-6-oxo-2-(trityloxymethyl)-2,3,3a,9a-tetrahydrofuro[[?]:[?]]oxazolo[[?]]pyrimidin-3-yl] imidazole-1-carbothioate, O-[(2R,3R,9aR)-7-methyl-6-oxo-2-(trityloxymethyl)-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-yl] imidazole-1-carbothioate
| Molecular Formula | C33H28N4O5S |
| Molecular Weight | 592.17804 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 592.17804 Da |
| Heavy Atoms | 43 |
| Complexity | 1050.0 |
| SMILES | CC1=CN2[C@H]3C([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC(=S)N7C=CN=C7)OC2=NC1=O |
| InChIKey | UWCSOULKJRMOJX-ZZYOZKBCSA-N |
The XLogP value of 5.2 indicates that Anhydro-trityl-imidazoyl-thiocarbonyl-T is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anhydro-trityl-imidazoyl-thiocarbonyl-T. Following Lipinski's Rule of Five, Anhydro-trityl-imidazoyl-thiocarbonyl-T has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Anhydro-trityl-imidazoyl-thiocarbonyl-T is 132776-28-4.
The molecular formula of Anhydro-trityl-imidazoyl-thiocarbonyl-T is C33H28N4O5S.
The molecular weight of Anhydro-trityl-imidazoyl-thiocarbonyl-T is 592.17804 g/mol.
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