TL;DR: N-Formyl-cis-4-(thymin-1-yl)-D-prolinol (CAS 121330-18-5) is a chemical compound with molecular formula C11H15N3O4 and molecular weight 253.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde
Also Known As: N-Formyl-cis-4-(thymin-1-yl)-D-prolinol, 1-Pyrrolidinecarboxaldehyde, 4-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)-, (2R-cis)-, (2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde, (2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pyrrolidine-1-carbaldehyde, (2R,4R)-2-(Hydroxymethyl)-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)pyrrolidine-1-carbaldehyde
| Molecular Formula | C11H15N3O4 |
| Molecular Weight | 253.10626 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 90.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.10626 Da |
| Heavy Atoms | 18 |
| Complexity | 421.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](N(C2)C=O)CO |
| InChIKey | ICRWAWAPFGBVMI-RKDXNWHRSA-N |
The XLogP value of -1.3 indicates that N-Formyl-cis-4-(thymin-1-yl)-D-prolinol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Formyl-cis-4-(thymin-1-yl)-D-prolinol. Following Lipinski's Rule of Five, N-Formyl-cis-4-(thymin-1-yl)-D-prolinol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Formyl-cis-4-(thymin-1-yl)-D-prolinol is 121330-18-5.
The molecular formula of N-Formyl-cis-4-(thymin-1-yl)-D-prolinol is C11H15N3O4.
The molecular weight of N-Formyl-cis-4-(thymin-1-yl)-D-prolinol is 253.10626 g/mol.
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