TL;DR: 5',4N-Bis((1,4-dihydro-1-methyl-3-pyridinyl)carbonyl)-2',3'-dideoxycytosine (CAS 130006-19-8) is a chemical compound with molecular formula C23H27N5O5 and molecular weight 453.20123 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-[4-[(1-methyl-4H-pyridine-3-carbonyl)amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 1-methyl-4H-pyridine-3-carboxylate
Also Known As: HP2DDC, 5',4N-Bis((1,4-dihydro-1-methyl-3-pyridinyl)carbonyl)-2',3'-dideoxycytosine, [5-[4-[(1-methyl-4H-pyridine-3-carbonyl)amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 1-methyl-4H-pyridine-3-carboxylate, 2',3'-Dideoxy-N-((1,4-dihydro-1-methyl-3-pyridinyl)carbonyl)cytidine 5'-(1,4-dihydro-1-methyl-3-pyridinecarboxylate), Cytidine, 2',3'-dideoxy-N-((1,4-dihydro-1-methyl-3-pyridinyl)carbonyl)-, 5'-(1,4-dihydro-1-methyl-3-pyridinecarboxylate)
| Molecular Formula | C23H27N5O5 |
| Molecular Weight | 453.20123 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.20123 Da |
| Heavy Atoms | 33 |
| Complexity | 1010.0 |
| SMILES | CN1C=CCC(=C1)C(=O)NC2=NC(=O)N(C=C2)C3CCC(O3)COC(=O)C4=CN(C=CC4)C |
| InChIKey | MICHLJWXTWDTGH-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5',4N-Bis((1,4-dihydro-1-methyl-3-pyridinyl)carbonyl)-2',3'-dideoxycytosine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5',4N-Bis((1,4-dihydro-1-methyl-3-pyridinyl)carbonyl)-2',3'-dideoxycytosine. Following Lipinski's Rule of Five, 5',4N-Bis((1,4-dihydro-1-methyl-3-pyridinyl)carbonyl)-2',3'-dideoxycytosine has 1 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 5',4N-Bis((1,4-dihydro-1-methyl-3-pyridinyl)carbonyl)-2',3'-dideoxycytosine is 130006-19-8.
The molecular formula of 5',4N-Bis((1,4-dihydro-1-methyl-3-pyridinyl)carbonyl)-2',3'-dideoxycytosine is C23H27N5O5.
The molecular weight of 5',4N-Bis((1,4-dihydro-1-methyl-3-pyridinyl)carbonyl)-2',3'-dideoxycytosine is 453.20123 g/mol.
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